1-cyclohexyl-3-(1,2,4-triazol-4-yl)urea

C9H15N5O — CID 917433

IUPAC1-cyclohexyl-3-(1,2,4-triazol-4-yl)urea
SMILESO=C(NC1CCCCC1)Nn1cnnc1
InChIInChI=1S/C9H15N5O/c15-9(13-14-6-10-11-7-14)12-8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,12,13,15)
InChIKeyWXNFCBHZYOLRPF-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.86
Rot. Bonds2

About 1-cyclohexyl-3-(1,2,4-triazol-4-yl)urea

1-cyclohexyl-3-(1,2,4-triazol-4-yl)urea (PubChem CID 917433) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1,2,4-triazol-4-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1,2,4-triazol-4-yl)urea
PubChem CID917433
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name1-cyclohexyl-3-(1,2,4-triazol-4-yl)urea
SMILESO=C(NC1CCCCC1)Nn1cnnc1
InChIInChI=1S/C9H15N5O/c15-9(13-14-6-10-11-7-14)12-8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,12,13,15)
InChIKeyWXNFCBHZYOLRPF-UHFFFAOYSA-N
XLogP0.86
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-3-(1,2,4-triazol-4-yl)urea with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-N-hexyl-1,2,4-triazole-1-carboxamide
CID 137637830
1-cyclohexyl-3-(1H-1,2,4-triazol-3-yl)urea
CID 3500978
N-cyclohexyl-1H-1,2,4-triazol-5-amine
CID 129910635
1-(6-isocyanatohexyl)-3-(1H-1,2,4-triazol-5-yl)urea
CID 139401926
1-heptyl-3-(1H-1,2,4-triazol-5-yl)urea
CID 157716055
1-cyclopentyl-3-(1H-1,2,4-triazol-3-yl)urea
CID 17174406
N-cyclohexyl-1,2,4-triazolylcarboxamide
CID 20788037
1-Propyl-3-(1,2,4-triazol-4-yl)urea
CID 102476062
1-(1,2,4-Triazol-4-yl)-3-[6-(1,2,4-triazol-4-ylcarbamoylamino)hexyl]urea
CID 102476063
N-cyclohexyl-N'-(1,2,4-triazol-4-yl)oxamide
CID 108504364
1-pentan-3-yl-3-(1H-1,2,4-triazol-5-yl)urea
CID 108888356

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1,2,4-triazol-4-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(1,2,4-triazol-4-yl)urea (CID 917433) is 1-cyclohexyl-3-(1,2,4-triazol-4-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(1,2,4-triazol-4-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(1,2,4-triazol-4-yl)urea is O=C(NC1CCCCC1)Nn1cnnc1.
What is the InChIKey of 1-cyclohexyl-3-(1,2,4-triazol-4-yl)urea?
The InChIKey is WXNFCBHZYOLRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c15-9(13-14-6-10-11-7-14)12-8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,12,13,15).
What are the key properties of 1-cyclohexyl-3-(1,2,4-triazol-4-yl)urea?
1-cyclohexyl-3-(1,2,4-triazol-4-yl)urea has a molecular weight of 209.25 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1,2,4-triazol-4-yl)urea is sourced from PubChem (CID 917433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).