![3,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-5-ol structure](/static/products/2113/21139-72-0.webp)
3,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-5-ol
TL;DR: 3,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-5-ol (CAS 21139-72-0) is a chemical compound with molecular formula C7H8N4O and molecular weight 164.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
Also Known As: 3,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-5-ol, 3,7-Dimethyl-1,2,4-triazolo[4,3-a]pyrimidin-5(8H)-one, 3,7-dimethyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one, 3,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-5(8H)-one, 3,7-dimethyl-5H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
| Molecular Formula | C7H8N4O |
|---|---|
| Molecular Weight | 164.07 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 57.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.06981 |
| Heavy Atoms | 12 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 21139-72-0 |
|---|---|
| SMILES | CC1=CC(=O)N2C(=NNC2=N1)C |
| InChIKey | UWDLQMHXJXYGEW-UHFFFAOYSA-N |
Product Overview
3,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-5-ol (CAS 21139-72-0), with molecular formula C7H8N4O and molecular weight 164.07 g/mol. IUPAC: 3,7-dimethyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one.
Chemical Property Profile of 3,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-5-ol
Property Insights of 3,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-5-ol
The XLogP value of -0.5 indicates that 3,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-5-ol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.1 Ų, 3,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-5-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-5-ol has 1 hydrogen bond donor(s) and 3 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 3,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-5-ol?
The CAS number of 3,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-5-ol is 21139-72-0.
What is the molecular formula of 3,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-5-ol?
The molecular formula of 3,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-5-ol is C7H8N4O.
What is the molecular weight of 3,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-5-ol?
The molecular weight of 3,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-5-ol is 164.07 g/mol.
Where can I buy 3,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-5-ol?
You can request a quote for 3,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.