![6-Nitro-7-indolyl-4,7-dihydro-3-methyl-1,2,4-triazolo[1,5-a]pyrimidine structure](/static/products/100/100219-67-8.png)
6-Nitro-7-indolyl-4,7-dihydro-3-methyl-1,2,4-triazolo[1,5-a]pyrimidine
TL;DR: 6-Nitro-7-indolyl-4,7-dihydro-3-methyl-1,2,4-triazolo[1,5-a]pyrimidine (CAS 100219-67-8) is a chemical compound with molecular formula C14H12N6O2 and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(1H-indol-3-yl)-2-methyl-6-nitro-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
Also Known As: 2(3H)-Benzoxazolone, 3-[2-(hydroxyimino)propyl]-, (E)-, 6-Nitro-7-indolyl-4,7-dihydro-3-methyl-1,2,4-triazolo[1,5-a]pyrimidine, 2(3H)-Benzoxazolone, 5-chloro-3-[2-(hydroxyimino)propyl]-, (E)-, 2(3H)-Benzoxazolone, 6-chloro-3-[2-(hydroxyimino)propyl]-, (E)-, (E)-6-bromo-5-chloro-3-(2-(hydroxyimino)propyl)benzo[d]oxazol-2(3H)-one
| Molecular Formula | C14H12N6O2 |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.10217 |
| Heavy Atoms | 22 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 100219-67-8 |
|---|---|
| SMILES | CC1=NN2C(C(=CNC2=N1)[N+](=O)[O-])C3=CNC4=CC=CC=C43 |
| InChIKey | GWYGDBTWYCUICC-UHFFFAOYSA-N |
Product Overview
6-Nitro-7-indolyl-4,7-dihydro-3-methyl-1,2,4-triazolo[1,5-a]pyrimidine (CAS 100219-67-8), with molecular formula C14H12N6O2 and molecular weight 296.10 g/mol. IUPAC: 7-(1H-indol-3-yl)-2-methyl-6-nitro-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
Chemical Property Profile of 6-Nitro-7-indolyl-4,7-dihydro-3-methyl-1,2,4-triazolo[1,5-a]pyrimidine
Property Insights of 6-Nitro-7-indolyl-4,7-dihydro-3-methyl-1,2,4-triazolo[1,5-a]pyrimidine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitro-7-indolyl-4,7-dihydro-3-methyl-1,2,4-triazolo[1,5-a]pyrimidine. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-7-indolyl-4,7-dihydro-3-methyl-1,2,4-triazolo[1,5-a]pyrimidine. Following Lipinski's Rule of Five, 6-Nitro-7-indolyl-4,7-dihydro-3-methyl-1,2,4-triazolo[1,5-a]pyrimidine has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Nitro-7-indolyl-4,7-dihydro-3-methyl-1,2,4-triazolo[1,5-a]pyrimidine?
The CAS number of 6-Nitro-7-indolyl-4,7-dihydro-3-methyl-1,2,4-triazolo[1,5-a]pyrimidine is 100219-67-8.
What is the molecular formula of 6-Nitro-7-indolyl-4,7-dihydro-3-methyl-1,2,4-triazolo[1,5-a]pyrimidine?
The molecular formula of 6-Nitro-7-indolyl-4,7-dihydro-3-methyl-1,2,4-triazolo[1,5-a]pyrimidine is C14H12N6O2.
What is the molecular weight of 6-Nitro-7-indolyl-4,7-dihydro-3-methyl-1,2,4-triazolo[1,5-a]pyrimidine?
The molecular weight of 6-Nitro-7-indolyl-4,7-dihydro-3-methyl-1,2,4-triazolo[1,5-a]pyrimidine is 296.10 g/mol.
Where can I buy 6-Nitro-7-indolyl-4,7-dihydro-3-methyl-1,2,4-triazolo[1,5-a]pyrimidine?
You can request a quote for 6-Nitro-7-indolyl-4,7-dihydro-3-methyl-1,2,4-triazolo[1,5-a]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitro-7-indolyl-4,7-dihydro-3-methyl-1,2,4-triazolo[1,5-a]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-7-indolyl-4,7-dihydro-3-methyl-1,2,4-triazolo[1,5-a]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.