1-cyclohexyl-3-(1H-1,2,4-triazol-5-yl)urea

C9H15N5O — CID 3500978

IUPAC1-cyclohexyl-3-(1H-1,2,4-triazol-5-yl)urea
SMILESO=C(Nc1ncn[nH]1)NC1CCCCC1
InChIInChI=1S/C9H15N5O/c15-9(13-8-10-6-11-14-8)12-7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,10,11,12,13,14,15)
InChIKeyCDWOFAUONBAWNG-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.26
Rot. Bonds2

About 1-cyclohexyl-3-(1H-1,2,4-triazol-5-yl)urea

1-cyclohexyl-3-(1H-1,2,4-triazol-5-yl)urea (PubChem CID 3500978) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1H-1,2,4-triazol-5-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1H-1,2,4-triazol-5-yl)urea
PubChem CID3500978
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name1-cyclohexyl-3-(1H-1,2,4-triazol-5-yl)urea
SMILESO=C(Nc1ncn[nH]1)NC1CCCCC1
InChIInChI=1S/C9H15N5O/c15-9(13-8-10-6-11-14-8)12-7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,10,11,12,13,14,15)
InChIKeyCDWOFAUONBAWNG-UHFFFAOYSA-N
XLogP1.26
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-3-(1H-1,2,4-triazol-5-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

1-Butyl-3-(1h-1,2,4-triazol-5-yl)urea
CID 282308
ST50907140
CID 282309
1-cyclohexyl-3-(1H-1,2,4-triazol-5-yl)thiourea
CID 3500979
1-propyl-3-(1H-1,2,4-triazol-5-yl)urea
CID 57817493
1-propan-2-yl-3-(1H-1,2,4-triazol-5-yl)urea
CID 62944644
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-cyclohexyl-3-(4H-1,2,4-triazol-4-yl)urea
CID 917433
1-cyclopentyl-3-(1H-1,2,4-triazol-3-yl)urea
CID 17174406
N-cyclohexyl-1,2,4-triazolylcarboxamide
CID 20788037
4-(cyclohexylcarbamoylamino)-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 33510537

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1H-1,2,4-triazol-5-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(1H-1,2,4-triazol-5-yl)urea (CID 3500978) is 1-cyclohexyl-3-(1H-1,2,4-triazol-5-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(1H-1,2,4-triazol-5-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(1H-1,2,4-triazol-5-yl)urea is O=C(Nc1ncn[nH]1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(1H-1,2,4-triazol-5-yl)urea?
The InChIKey is CDWOFAUONBAWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c15-9(13-8-10-6-11-14-8)12-7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,10,11,12,13,14,15).
What are the key properties of 1-cyclohexyl-3-(1H-1,2,4-triazol-5-yl)urea?
1-cyclohexyl-3-(1H-1,2,4-triazol-5-yl)urea has a molecular weight of 209.25 g/mol, XLogP of 1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1H-1,2,4-triazol-5-yl)urea is sourced from PubChem (CID 3500978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).