1-[4-(3-amino-1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(3-methoxyphenyl)urea

C16H22N6O2 — CID 75430331

IUPAC1-[4-(3-amino-1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NC2CCC(c3nc(N)n[nH]3)CC2)c1
InChIInChI=1S/C16H22N6O2/c1-24-13-4-2-3-12(9-13)19-16(23)18-11-7-5-10(6-8-11)14-20-15(17)22-21-14/h2-4,9-11H,5-8H2,1H3,(H2,18,19,23)(H3,17,20,21,22)
InChIKeyREVKBOZUUVTLGP-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.24
Rot. Bonds4

About 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(3-methoxyphenyl)urea

1-[4-(3-amino-1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(3-methoxyphenyl)urea (PubChem CID 75430331) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(3-amino-1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(3-methoxyphenyl)urea
PubChem CID75430331
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name1-[4-(3-amino-1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NC2CCC(c3nc(N)n[nH]3)CC2)c1
InChIInChI=1S/C16H22N6O2/c1-24-13-4-2-3-12(9-13)19-16(23)18-11-7-5-10(6-8-11)14-20-15(17)22-21-14/h2-4,9-11H,5-8H2,1H3,(H2,18,19,23)(H3,17,20,21,22)
InChIKeyREVKBOZUUVTLGP-UHFFFAOYSA-N
XLogP2.24
TPSA117.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(3-methoxyphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(3-methoxyphenyl)urea (CID 75430331) is 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)NC2CCC(c3nc(N)n[nH]3)CC2)c1.
What is the InChIKey of 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(3-methoxyphenyl)urea?
The InChIKey is REVKBOZUUVTLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-24-13-4-2-3-12(9-13)19-16(23)18-11-7-5-10(6-8-11)14-20-15(17)22-21-14/h2-4,9-11H,5-8H2,1H3,(H2,18,19,23)(H3,17,20,21,22).
What are the key properties of 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(3-methoxyphenyl)urea?
1-[4-(3-amino-1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(3-methoxyphenyl)urea has a molecular weight of 330.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 75430331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).