(1-benzyltriazol-4-yl)-cyclohexylmethanone

C16H19N3O — CID 71763813

IUPAC(1-benzyltriazol-4-yl)-cyclohexylmethanone
SMILESO=C(c1cn(Cc2ccccc2)nn1)C1CCCCC1
InChIInChI=1S/C16H19N3O/c20-16(14-9-5-2-6-10-14)15-12-19(18-17-15)11-13-7-3-1-4-8-13/h1,3-4,7-8,12,14H,2,5-6,9-11H2
InChIKeyQFXXODZBYVKEES-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.09
Rot. Bonds4

About (1-benzyltriazol-4-yl)-cyclohexylmethanone

(1-benzyltriazol-4-yl)-cyclohexylmethanone (PubChem CID 71763813) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (1-benzyltriazol-4-yl)-cyclohexylmethanone.

Molecular Properties

Compound Name(1-benzyltriazol-4-yl)-cyclohexylmethanone
PubChem CID71763813
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(1-benzyltriazol-4-yl)-cyclohexylmethanone
SMILESO=C(c1cn(Cc2ccccc2)nn1)C1CCCCC1
InChIInChI=1S/C16H19N3O/c20-16(14-9-5-2-6-10-14)15-12-19(18-17-15)11-13-7-3-1-4-8-13/h1,3-4,7-8,12,14H,2,5-6,9-11H2
InChIKeyQFXXODZBYVKEES-UHFFFAOYSA-N
XLogP3.09
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-benzyltriazol-4-yl)-cyclohexylmethanone 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-benzyltriazole-4-carbonyl chloride
CID 87720228
1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide
CID 36706465
[2-(cyclohexylmethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate
CID 55516705
1-benzyl-N-methyl-N-(2-methylcyclohexyl)triazole-4-carboxamide
CID 134020397
1-benzyl-N-(2-tert-butylcyclohexyl)triazole-4-carboxamide
CID 43060445
(3-methylcyclohexyl) 1-benzyltriazole-4-carboxylate
CID 78839377
(1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110886791
2-[4-(1-benzyltriazole-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 39487776
(4-benzylpiperidin-1-yl)-(1-benzyltriazol-4-yl)methanethione
CID 1499717
(1-benzyltriazol-4-yl)-piperazin-1-ylmethanone
CID 119402143
(1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545055
1-benzyltriazole-4-carbonyl azide
CID 122449074

Frequently Asked Questions

What is the IUPAC name of (1-benzyltriazol-4-yl)-cyclohexylmethanone?
The IUPAC name of (1-benzyltriazol-4-yl)-cyclohexylmethanone (CID 71763813) is (1-benzyltriazol-4-yl)-cyclohexylmethanone.
What is the SMILES notation for (1-benzyltriazol-4-yl)-cyclohexylmethanone?
The canonical SMILES for (1-benzyltriazol-4-yl)-cyclohexylmethanone is O=C(c1cn(Cc2ccccc2)nn1)C1CCCCC1.
What is the InChIKey of (1-benzyltriazol-4-yl)-cyclohexylmethanone?
The InChIKey is QFXXODZBYVKEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(14-9-5-2-6-10-14)15-12-19(18-17-15)11-13-7-3-1-4-8-13/h1,3-4,7-8,12,14H,2,5-6,9-11H2.
What are the key properties of (1-benzyltriazol-4-yl)-cyclohexylmethanone?
(1-benzyltriazol-4-yl)-cyclohexylmethanone has a molecular weight of 269.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyltriazol-4-yl)-cyclohexylmethanone is sourced from PubChem (CID 71763813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).