1-(1-cyclohexylprop-1-enyl)benzotriazole

C15H19N3 — CID 3753797

IUPAC1-(1-cyclohexylprop-1-enyl)benzotriazole
SMILESCC=C(C1CCCCC1)n1nnc2ccccc21
InChIInChI=1S/C15H19N3/c1-2-14(12-8-4-3-5-9-12)18-15-11-7-6-10-13(15)16-17-18/h2,6-7,10-12H,3-5,8-9H2,1H3
InChIKeyORWQKJJEUJNTIR-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.87
Rot. Bonds2

About 1-(1-cyclohexylprop-1-enyl)benzotriazole

1-(1-cyclohexylprop-1-enyl)benzotriazole (PubChem CID 3753797) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-(1-cyclohexylprop-1-enyl)benzotriazole.

Molecular Properties

Compound Name1-(1-cyclohexylprop-1-enyl)benzotriazole
PubChem CID3753797
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-(1-cyclohexylprop-1-enyl)benzotriazole
SMILESCC=C(C1CCCCC1)n1nnc2ccccc21
InChIInChI=1S/C15H19N3/c1-2-14(12-8-4-3-5-9-12)18-15-11-7-6-10-13(15)16-17-18/h2,6-7,10-12H,3-5,8-9H2,1H3
InChIKeyORWQKJJEUJNTIR-UHFFFAOYSA-N
XLogP3.87
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-cyclohexylprop-1-enyl)benzotriazole 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

benzotriazol-1-yl-(4-methylcyclohexyl)methanone
CID 26794170
benzotriazol-1-yl(piperidin-1-yl)methanone;hydrochloride
CID 142638813
2-(benzotriazol-1-yl)-1-cyclohexylethanone
CID 115579305
ethyl (2R)-3-(benzotriazol-1-yl)-2-cyclohexyl-3-oxopropanoate
CID 28661303
2-(benzotriazol-1-yl)-1-cyclohexylbut-3-en-1-ol
CID 4680399
1-(1-phenylsulfanylprop-1-enyl)benzotriazole
CID 3839750
1-(1-cyclopropyl-3,3-diphenylpropa-1,2-dienyl)benzotriazole
CID 135064802
N'-methylbenzotriazole-1-carboximidamide
CID 55282851
1-[(Z)-2-chloro-1-fluoroethenyl]benzotriazole
CID 134987646
1-(benzotriazol-1-yl)-N,N'-dicyclohexylmethanediamine
CID 3478782
1-[(Z)-1-(benzotriazol-1-yl)-2-methoxyethenyl]cyclopentan-1-ol
CID 26792996
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]benzotriazole-1-carboxamide
CID 14842475

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylprop-1-enyl)benzotriazole?
The IUPAC name of 1-(1-cyclohexylprop-1-enyl)benzotriazole (CID 3753797) is 1-(1-cyclohexylprop-1-enyl)benzotriazole.
What is the SMILES notation for 1-(1-cyclohexylprop-1-enyl)benzotriazole?
The canonical SMILES for 1-(1-cyclohexylprop-1-enyl)benzotriazole is CC=C(C1CCCCC1)n1nnc2ccccc21.
What is the InChIKey of 1-(1-cyclohexylprop-1-enyl)benzotriazole?
The InChIKey is ORWQKJJEUJNTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-14(12-8-4-3-5-9-12)18-15-11-7-6-10-13(15)16-17-18/h2,6-7,10-12H,3-5,8-9H2,1H3.
What are the key properties of 1-(1-cyclohexylprop-1-enyl)benzotriazole?
1-(1-cyclohexylprop-1-enyl)benzotriazole has a molecular weight of 241.34 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylprop-1-enyl)benzotriazole is sourced from PubChem (CID 3753797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).