trans-(1S,2S)-2-[4-(4-methylphenyl)triazol-1-yl]cyclohexan-1-ol

C15H19N3O — CID 24970946

IUPACtrans-(1S,2S)-2-[4-(4-methylphenyl)triazol-1-yl]cyclohexan-1-ol
SMILESCc1ccc(-c2cn([C@H]3CCCC[C@@H]3O)nn2)cc1
InChIInChI=1S/C15H19N3O/c1-11-6-8-12(9-7-11)13-10-18(17-16-13)14-4-2-3-5-15(14)19/h6-10,14-15,19H,2-5H2,1H3/t14-,15-/m0/s1
InChIKeyDZGAOVDMCIXPKP-GJZGRUSLSA-N
MW257.34 g/mol
LogP2.73
Rot. Bonds2

About trans-(1S,2S)-2-[4-(4-methylphenyl)triazol-1-yl]cyclohexan-1-ol

trans-(1S,2S)-2-[4-(4-methylphenyl)triazol-1-yl]cyclohexan-1-ol (PubChem CID 24970946) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is trans-(1S,2S)-2-[4-(4-methylphenyl)triazol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[4-(4-methylphenyl)triazol-1-yl]cyclohexan-1-ol
PubChem CID24970946
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Nametrans-(1S,2S)-2-[4-(4-methylphenyl)triazol-1-yl]cyclohexan-1-ol
SMILESCc1ccc(-c2cn([C@H]3CCCC[C@@H]3O)nn2)cc1
InChIInChI=1S/C15H19N3O/c1-11-6-8-12(9-7-11)13-10-18(17-16-13)14-4-2-3-5-15(14)19/h6-10,14-15,19H,2-5H2,1H3/t14-,15-/m0/s1
InChIKeyDZGAOVDMCIXPKP-GJZGRUSLSA-N
XLogP2.73
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1S,2S)-2-[4-(4-methylphenyl)triazol-1-yl]cyclohexan-1-ol 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

2-(4-methyltriazol-1-yl)cyclopentan-1-ol
CID 77393104
5-[1-[(1R,2R)-2-hydroxycyclohexyl]triazol-4-yl]-2-methyl-N-phenylbenzamide
CID 166400344
1-(2-methylsulfanylcyclohexyl)-4-phenyltriazole
CID 102494805
trans-(1R,2R)-2-[4-(1H-indol-2-yl)triazol-1-yl]cyclohexan-1-ol
CID 167991515
trans-(1S,2S)-2-[4-(2-methoxynaphthalen-1-yl)triazol-1-yl]cyclohexan-1-ol
CID 134849945
[(1R,3R,4S)-3-azido-4-[4-(4-methylphenyl)triazol-1-yl]cyclopentyl]methanol
CID 122227286
2-[1-(2-hydroxycycloheptyl)triazol-4-yl]acetic acid
CID 107461685
trans-(1R,2R)-2-(4-butyltriazol-1-yl)cyclohexan-1-ol
CID 101445678
(1S,2R)-2-[4-(4-methoxyphenyl)triazol-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 134957340
2-[4-(1-aminoethyl)triazol-1-yl]cyclopentan-1-ol
CID 114419711
trans-(1S,2S)-2-(3-methylpyrazol-1-yl)cyclohexan-1-ol
CID 15853903
2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol
CID 116642075

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[4-(4-methylphenyl)triazol-1-yl]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[4-(4-methylphenyl)triazol-1-yl]cyclohexan-1-ol (CID 24970946) is trans-(1S,2S)-2-[4-(4-methylphenyl)triazol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[4-(4-methylphenyl)triazol-1-yl]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[4-(4-methylphenyl)triazol-1-yl]cyclohexan-1-ol is Cc1ccc(-c2cn([C@H]3CCCC[C@@H]3O)nn2)cc1.
What is the InChIKey of trans-(1S,2S)-2-[4-(4-methylphenyl)triazol-1-yl]cyclohexan-1-ol?
The InChIKey is DZGAOVDMCIXPKP-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-6-8-12(9-7-11)13-10-18(17-16-13)14-4-2-3-5-15(14)19/h6-10,14-15,19H,2-5H2,1H3/t14-,15-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[4-(4-methylphenyl)triazol-1-yl]cyclohexan-1-ol?
trans-(1S,2S)-2-[4-(4-methylphenyl)triazol-1-yl]cyclohexan-1-ol has a molecular weight of 257.34 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[4-(4-methylphenyl)triazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 24970946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).