1-benzyl-4-cyclohexyl-5-prop-2-enyltriazole

C18H23N3 — CID 154722743

IUPAC1-benzyl-4-cyclohexyl-5-prop-2-enyltriazole
SMILESC=CCc1c(C2CCCCC2)nnn1Cc1ccccc1
InChIInChI=1S/C18H23N3/c1-2-9-17-18(16-12-7-4-8-13-16)19-20-21(17)14-15-10-5-3-6-11-15/h2-3,5-6,10-11,16H,1,4,7-9,12-14H2
InChIKeyIPHADMHZDQNUGG-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.10
Rot. Bonds5

About 1-benzyl-4-cyclohexyl-5-prop-2-enyltriazole

1-benzyl-4-cyclohexyl-5-prop-2-enyltriazole (PubChem CID 154722743) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-benzyl-4-cyclohexyl-5-prop-2-enyltriazole.

Molecular Properties

Compound Name1-benzyl-4-cyclohexyl-5-prop-2-enyltriazole
PubChem CID154722743
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-benzyl-4-cyclohexyl-5-prop-2-enyltriazole
SMILESC=CCc1c(C2CCCCC2)nnn1Cc1ccccc1
InChIInChI=1S/C18H23N3/c1-2-9-17-18(16-12-7-4-8-13-16)19-20-21(17)14-15-10-5-3-6-11-15/h2-3,5-6,10-11,16H,1,4,7-9,12-14H2
InChIKeyIPHADMHZDQNUGG-UHFFFAOYSA-N
XLogP4.10
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-5-cyclohexyltriazole-4-carbonitrile
CID 82203030
(E)-4-(1-benzyl-5-prop-2-enyltriazol-4-yl)but-3-en-2-one
CID 141378137
1-benzyl-4-(3,5-dimethoxyphenyl)-5-prop-2-enyltriazole
CID 154722735
1-benzyl-5-butyltellanyl-4-cyclopropyltriazole
CID 71747084
1-benzyl-7-methylidene-5,6-dihydro-4H-benzotriazol-4-ol
CID 90082611
dicyclohexylmethanol;prop-2-enylbenzene
CID 174723759
3-benzyl-5-cyclopentyl-2-ethylimidazol-4-amine
CID 62220469
3-benzyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]triazole
CID 122379886
1-benzyl-3-cyclopentyl-6-phenylmethoxyindazole
CID 67219602
2-benzyl-4-cyclopentylpyridazin-3-one
CID 141479877
4-(1-benzyltetrazol-5-yl)piperidine
CID 84703981
[1-[(3-chlorophenyl)methyl]-5-cyclohexyltriazol-4-yl]methanamine
CID 82203673

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-cyclohexyl-5-prop-2-enyltriazole?
The IUPAC name of 1-benzyl-4-cyclohexyl-5-prop-2-enyltriazole (CID 154722743) is 1-benzyl-4-cyclohexyl-5-prop-2-enyltriazole.
What is the SMILES notation for 1-benzyl-4-cyclohexyl-5-prop-2-enyltriazole?
The canonical SMILES for 1-benzyl-4-cyclohexyl-5-prop-2-enyltriazole is C=CCc1c(C2CCCCC2)nnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-cyclohexyl-5-prop-2-enyltriazole?
The InChIKey is IPHADMHZDQNUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-9-17-18(16-12-7-4-8-13-16)19-20-21(17)14-15-10-5-3-6-11-15/h2-3,5-6,10-11,16H,1,4,7-9,12-14H2.
What are the key properties of 1-benzyl-4-cyclohexyl-5-prop-2-enyltriazole?
1-benzyl-4-cyclohexyl-5-prop-2-enyltriazole has a molecular weight of 281.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-cyclohexyl-5-prop-2-enyltriazole is sourced from PubChem (CID 154722743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).