4-anilino-3-ethyl-1H-1,2,4-triazol-5-one
TL;DR: 4-anilino-3-ethyl-1H-1,2,4-triazol-5-one (CAS 75989-67-2) is a chemical compound with molecular formula C10H12N4O and molecular weight 204.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-3-ethyl-1H-1,2,4-triazol-5-one
Also Known As: TimTec1_002487, 4-anilino-3-ethyl-1H-1,2,4-triazol-5-one, 3-ethyl-4-(phenylamino)-1,2,4-triazolin-5-one, 3-Ethyl-4-(phenylamino)-1H-1,2,4-triazol-5(4H)-one, 4-Anilino-5-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
| Molecular Formula | C10H12N4O |
|---|---|
| Molecular Weight | 204.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 56.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.1011 |
| Heavy Atoms | 15 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 75989-67-2 |
|---|---|
| SMILES | CCC1=NNC(=O)N1NC2=CC=CC=C2 |
| InChIKey | WHGZZMJNVIDLRI-UHFFFAOYSA-N |
Product Overview
4-anilino-3-ethyl-1H-1,2,4-triazol-5-one (CAS 75989-67-2), with molecular formula C10H12N4O and molecular weight 204.10 g/mol. IUPAC: 4-anilino-3-ethyl-1H-1,2,4-triazol-5-one.
Chemical Property Profile of 4-anilino-3-ethyl-1H-1,2,4-triazol-5-one
Property Insights of 4-anilino-3-ethyl-1H-1,2,4-triazol-5-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-anilino-3-ethyl-1H-1,2,4-triazol-5-one. With a topological polar surface area (TPSA) of 56.7 Ų, 4-anilino-3-ethyl-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-ethyl-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-ethyl-1H-1,2,4-triazol-5-one?
The CAS number of 4-anilino-3-ethyl-1H-1,2,4-triazol-5-one is 75989-67-2.
What is the molecular formula of 4-anilino-3-ethyl-1H-1,2,4-triazol-5-one?
The molecular formula of 4-anilino-3-ethyl-1H-1,2,4-triazol-5-one is C10H12N4O.
What is the molecular weight of 4-anilino-3-ethyl-1H-1,2,4-triazol-5-one?
The molecular weight of 4-anilino-3-ethyl-1H-1,2,4-triazol-5-one is 204.10 g/mol.
Where can I buy 4-anilino-3-ethyl-1H-1,2,4-triazol-5-one?
You can request a quote for 4-anilino-3-ethyl-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-ethyl-1H-1,2,4-triazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-anilino-3-ethyl-1H-1,2,4-triazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.