4-methyl-5,6-dihydro-2H-triazolo[4,5-d]pyrimidin-7-one
TL;DR: 4-methyl-5,6-dihydro-2H-triazolo[4,5-d]pyrimidin-7-one (CAS 79248-07-0) is a chemical compound with molecular formula C5H7N5O and molecular weight 153.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-5,6-dihydro-2H-triazolo[4,5-d]pyrimidin-7-one
Also Known As: 4-methyl-5,6-dihydro-2H-triazolo[4,5-d]pyrimidin-7-one, 4-Methyl-2,4,5,6-tetrahydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
| Molecular Formula | C5H7N5O |
|---|---|
| Molecular Weight | 153.07 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.06506 |
| Heavy Atoms | 11 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 79248-07-0 |
|---|---|
| SMILES | CN1CNC(=O)C2=NNN=C21 |
| InChIKey | KUOLNBFGQVJLAU-UHFFFAOYSA-N |
Product Overview
4-methyl-5,6-dihydro-2H-triazolo[4,5-d]pyrimidin-7-one (CAS 79248-07-0), with molecular formula C5H7N5O and molecular weight 153.07 g/mol. IUPAC: 4-methyl-5,6-dihydro-2H-triazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of 4-methyl-5,6-dihydro-2H-triazolo[4,5-d]pyrimidin-7-one
Property Insights of 4-methyl-5,6-dihydro-2H-triazolo[4,5-d]pyrimidin-7-one
The XLogP value of -0.5 indicates that 4-methyl-5,6-dihydro-2H-triazolo[4,5-d]pyrimidin-7-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-5,6-dihydro-2H-triazolo[4,5-d]pyrimidin-7-one. Following Lipinski's Rule of Five, 4-methyl-5,6-dihydro-2H-triazolo[4,5-d]pyrimidin-7-one has 2 hydrogen bond donor(s) and 4 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 4-methyl-5,6-dihydro-2H-triazolo[4,5-d]pyrimidin-7-one?
The CAS number of 4-methyl-5,6-dihydro-2H-triazolo[4,5-d]pyrimidin-7-one is 79248-07-0.
What is the molecular formula of 4-methyl-5,6-dihydro-2H-triazolo[4,5-d]pyrimidin-7-one?
The molecular formula of 4-methyl-5,6-dihydro-2H-triazolo[4,5-d]pyrimidin-7-one is C5H7N5O.
What is the molecular weight of 4-methyl-5,6-dihydro-2H-triazolo[4,5-d]pyrimidin-7-one?
The molecular weight of 4-methyl-5,6-dihydro-2H-triazolo[4,5-d]pyrimidin-7-one is 153.07 g/mol.
Where can I buy 4-methyl-5,6-dihydro-2H-triazolo[4,5-d]pyrimidin-7-one?
You can request a quote for 4-methyl-5,6-dihydro-2H-triazolo[4,5-d]pyrimidin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-5,6-dihydro-2H-triazolo[4,5-d]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-5,6-dihydro-2H-triazolo[4,5-d]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.