1-(2H-benzotriazol-5-yl)-3-(2-cyclohexylethyl)urea

C15H21N5O — CID 71583384

IUPAC1-(2H-benzotriazol-5-yl)-3-(2-cyclohexylethyl)urea
SMILESO=C(NCCC1CCCCC1)Nc1ccc2n[nH]nc2c1
InChIInChI=1S/C15H21N5O/c21-15(16-9-8-11-4-2-1-3-5-11)17-12-6-7-13-14(10-12)19-20-18-13/h6-7,10-11H,1-5,8-9H2,(H2,16,17,21)(H,18,19,20)
InChIKeyKRAFNMIPEZRLIB-UHFFFAOYSA-N
MW287.37 g/mol
LogP3.05
Rot. Bonds4

About 1-(2H-benzotriazol-5-yl)-3-(2-cyclohexylethyl)urea

1-(2H-benzotriazol-5-yl)-3-(2-cyclohexylethyl)urea (PubChem CID 71583384) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-(2H-benzotriazol-5-yl)-3-(2-cyclohexylethyl)urea.

Molecular Properties

Compound Name1-(2H-benzotriazol-5-yl)-3-(2-cyclohexylethyl)urea
PubChem CID71583384
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-(2H-benzotriazol-5-yl)-3-(2-cyclohexylethyl)urea
SMILESO=C(NCCC1CCCCC1)Nc1ccc2n[nH]nc2c1
InChIInChI=1S/C15H21N5O/c21-15(16-9-8-11-4-2-1-3-5-11)17-12-6-7-13-14(10-12)19-20-18-13/h6-7,10-11H,1-5,8-9H2,(H2,16,17,21)(H,18,19,20)
InChIKeyKRAFNMIPEZRLIB-UHFFFAOYSA-N
XLogP3.05
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2H-benzotriazol-5-yl)-3-(2-cyclohexylethyl)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-(2H-benzotriazol-5-yl)-3-(2-cyclohexylethyl)urea?
The IUPAC name of 1-(2H-benzotriazol-5-yl)-3-(2-cyclohexylethyl)urea (CID 71583384) is 1-(2H-benzotriazol-5-yl)-3-(2-cyclohexylethyl)urea.
What is the SMILES notation for 1-(2H-benzotriazol-5-yl)-3-(2-cyclohexylethyl)urea?
The canonical SMILES for 1-(2H-benzotriazol-5-yl)-3-(2-cyclohexylethyl)urea is O=C(NCCC1CCCCC1)Nc1ccc2n[nH]nc2c1.
What is the InChIKey of 1-(2H-benzotriazol-5-yl)-3-(2-cyclohexylethyl)urea?
The InChIKey is KRAFNMIPEZRLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c21-15(16-9-8-11-4-2-1-3-5-11)17-12-6-7-13-14(10-12)19-20-18-13/h6-7,10-11H,1-5,8-9H2,(H2,16,17,21)(H,18,19,20).
What are the key properties of 1-(2H-benzotriazol-5-yl)-3-(2-cyclohexylethyl)urea?
1-(2H-benzotriazol-5-yl)-3-(2-cyclohexylethyl)urea has a molecular weight of 287.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-benzotriazol-5-yl)-3-(2-cyclohexylethyl)urea is sourced from PubChem (CID 71583384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).