4-anilino-3-methyl-1H-1,2,4-triazol-5-one
TL;DR: 4-anilino-3-methyl-1H-1,2,4-triazol-5-one (CAS 75989-66-1) is a chemical compound with molecular formula C9H10N4O and molecular weight 190.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-3-methyl-1H-1,2,4-triazol-5-one
Also Known As: 4-anilino-3-methyl-1H-1,2,4-triazol-5-one, NCI60_026618, 3-Methyl-4-(phenylamino)-1H-1,2,4-triazol-5(4H)-one, 4-Anilino-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one, 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-methyl-4-(phenylamino)-
| Molecular Formula | C9H10N4O |
|---|---|
| Molecular Weight | 190.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 56.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.08546 |
| Heavy Atoms | 14 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 75989-66-1 |
|---|---|
| SMILES | CC1=NNC(=O)N1NC2=CC=CC=C2 |
| InChIKey | UKYSDDJUIYHEHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-anilino-3-methyl-1H-1,2,4-triazol-5-one (CAS 75989-66-1), with molecular formula C9H10N4O and molecular weight 190.09 g/mol. IUPAC: 4-anilino-3-methyl-1H-1,2,4-triazol-5-one.
Chemical Property Profile of 4-anilino-3-methyl-1H-1,2,4-triazol-5-one
Property Insights of 4-anilino-3-methyl-1H-1,2,4-triazol-5-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-anilino-3-methyl-1H-1,2,4-triazol-5-one. With a topological polar surface area (TPSA) of 56.7 Ų, 4-anilino-3-methyl-1H-1,2,4-triazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-anilino-3-methyl-1H-1,2,4-triazol-5-one has 2 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 4-anilino-3-methyl-1H-1,2,4-triazol-5-one?
The CAS number of 4-anilino-3-methyl-1H-1,2,4-triazol-5-one is 75989-66-1.
What is the molecular formula of 4-anilino-3-methyl-1H-1,2,4-triazol-5-one?
The molecular formula of 4-anilino-3-methyl-1H-1,2,4-triazol-5-one is C9H10N4O.
What is the molecular weight of 4-anilino-3-methyl-1H-1,2,4-triazol-5-one?
The molecular weight of 4-anilino-3-methyl-1H-1,2,4-triazol-5-one is 190.09 g/mol.
Where can I buy 4-anilino-3-methyl-1H-1,2,4-triazol-5-one?
You can request a quote for 4-anilino-3-methyl-1H-1,2,4-triazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-anilino-3-methyl-1H-1,2,4-triazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-anilino-3-methyl-1H-1,2,4-triazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.