4-(3,5-dimethyl-1H-1,2,4-triazole-1-carbonyl)morpholine
TL;DR: 4-(3,5-dimethyl-1H-1,2,4-triazole-1-carbonyl)morpholine (CAS 700862-34-6) is a chemical compound with molecular formula C9H14N4O2 and molecular weight 210.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethyl-1,2,4-triazol-1-yl)-morpholin-4-ylmethanone
Also Known As: BAS 09621181, 4-(3,5-dimethyl-1H-1,2,4-triazole-1-carbonyl)morpholine, 3,5-dimethyl(1,2,4-triazolyl) morpholin-4-yl ketone, BRD-K39060307-001-02-0, (3,5-Dimethyl-[1,2,4]triazol-1-yl)-morpholin-4-yl-methanone
| Molecular Formula | C9H14N4O2 |
|---|---|
| Molecular Weight | 210.11 g/mol |
| LogP | 0.19524 |
| Topological Polar Surface Area | 60.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.11168 |
| Heavy Atoms | 15 |
| Complexity | 368.1893 |
Chemical Identifiers
| CAS Number | 700862-34-6 |
|---|---|
| SMILES | CC1=NN(C(=N1)C)C(=O)N2CCOCC2 |
Product Overview
4-(3,5-dimethyl-1H-1,2,4-triazole-1-carbonyl)morpholine (CAS 700862-34-6), with molecular formula C9H14N4O2 and molecular weight 210.11 g/mol. IUPAC: (3,5-dimethyl-1,2,4-triazol-1-yl)-morpholin-4-ylmethanone.
Chemical Property Profile of 4-(3,5-dimethyl-1H-1,2,4-triazole-1-carbonyl)morpholine
Property Insights of 4-(3,5-dimethyl-1H-1,2,4-triazole-1-carbonyl)morpholine
The XLogP value of 0.19524 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,5-dimethyl-1H-1,2,4-triazole-1-carbonyl)morpholine. The TPSA of 60.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,5-dimethyl-1H-1,2,4-triazole-1-carbonyl)morpholine. Following Lipinski's Rule of Five, 4-(3,5-dimethyl-1H-1,2,4-triazole-1-carbonyl)morpholine has 0 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-(3,5-dimethyl-1H-1,2,4-triazole-1-carbonyl)morpholine?
The CAS number of 4-(3,5-dimethyl-1H-1,2,4-triazole-1-carbonyl)morpholine is 700862-34-6.
What is the molecular formula of 4-(3,5-dimethyl-1H-1,2,4-triazole-1-carbonyl)morpholine?
The molecular formula of 4-(3,5-dimethyl-1H-1,2,4-triazole-1-carbonyl)morpholine is C9H14N4O2.
What is the molecular weight of 4-(3,5-dimethyl-1H-1,2,4-triazole-1-carbonyl)morpholine?
The molecular weight of 4-(3,5-dimethyl-1H-1,2,4-triazole-1-carbonyl)morpholine is 210.11 g/mol.
Where can I buy 4-(3,5-dimethyl-1H-1,2,4-triazole-1-carbonyl)morpholine?
You can request a quote for 4-(3,5-dimethyl-1H-1,2,4-triazole-1-carbonyl)morpholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,5-dimethyl-1H-1,2,4-triazole-1-carbonyl)morpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,5-dimethyl-1H-1,2,4-triazole-1-carbonyl)morpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.