5-(cyclohexylmethyl)-3-phenyl-1H-1,2,4-triazole

C15H19N3 — CID 61353981

IUPAC5-(cyclohexylmethyl)-3-phenyl-1H-1,2,4-triazole
SMILESc1ccc(-c2n[nH]c(CC3CCCCC3)n2)cc1
InChIInChI=1S/C15H19N3/c1-3-7-12(8-4-1)11-14-16-15(18-17-14)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,16,17,18)
InChIKeyPHDJEQKNUTVXFZ-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.59
Rot. Bonds3

About 5-(cyclohexylmethyl)-3-phenyl-1H-1,2,4-triazole

5-(cyclohexylmethyl)-3-phenyl-1H-1,2,4-triazole (PubChem CID 61353981) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-3-phenyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-3-phenyl-1H-1,2,4-triazole
PubChem CID61353981
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name5-(cyclohexylmethyl)-3-phenyl-1H-1,2,4-triazole
SMILESc1ccc(-c2n[nH]c(CC3CCCCC3)n2)cc1
InChIInChI=1S/C15H19N3/c1-3-7-12(8-4-1)11-14-16-15(18-17-14)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,16,17,18)
InChIKeyPHDJEQKNUTVXFZ-UHFFFAOYSA-N
XLogP3.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(cyclohexylmethyl)-3-phenyl-1H-1,2,4-triazole 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

5-(cyclobutylmethyl)-3-phenyl-1H-1,2,4-triazole
CID 103164431
N-cyclohexyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168691
2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]piperidine
CID 62216718
(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine;hydrobromide
CID 146014408
3-chloro-5-(cyclopentylmethyl)-1H-1,2,4-triazole
CID 130848106
5-(cyclobutylmethyl)-3-cyclohexyl-1H-1,2,4-triazole
CID 103164429
5-[(2-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole
CID 61354179
(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[[(3-phenyl-1H-1,2,4-triazol-5-yl)methylamino]methyl]piperidin-2-one
CID 26390914
5-cyclopropyl-3-phenyl-1H-1,2,4-triazole
CID 61338880
1,3-dimethyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]imidazolidine-2,4-dione
CID 50948711
5-(cyclopentylmethyl)-3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole
CID 24649280
5-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]-3-phenyl-1H-1,2,4-triazole
CID 127674473

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-3-phenyl-1H-1,2,4-triazole?
The IUPAC name of 5-(cyclohexylmethyl)-3-phenyl-1H-1,2,4-triazole (CID 61353981) is 5-(cyclohexylmethyl)-3-phenyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(cyclohexylmethyl)-3-phenyl-1H-1,2,4-triazole?
The canonical SMILES for 5-(cyclohexylmethyl)-3-phenyl-1H-1,2,4-triazole is c1ccc(-c2n[nH]c(CC3CCCCC3)n2)cc1.
What is the InChIKey of 5-(cyclohexylmethyl)-3-phenyl-1H-1,2,4-triazole?
The InChIKey is PHDJEQKNUTVXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-7-12(8-4-1)11-14-16-15(18-17-14)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,16,17,18).
What are the key properties of 5-(cyclohexylmethyl)-3-phenyl-1H-1,2,4-triazole?
5-(cyclohexylmethyl)-3-phenyl-1H-1,2,4-triazole has a molecular weight of 241.34 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-3-phenyl-1H-1,2,4-triazole is sourced from PubChem (CID 61353981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).