trans-(1R,2R)-2-(4-butyltriazol-1-yl)cyclohexan-1-ol

C12H21N3O — CID 101445678

IUPACtrans-(1R,2R)-2-(4-butyltriazol-1-yl)cyclohexan-1-ol
SMILESCCCCc1cn([C@@H]2CCCC[C@H]2O)nn1
InChIInChI=1S/C12H21N3O/c1-2-3-6-10-9-15(14-13-10)11-7-4-5-8-12(11)16/h9,11-12,16H,2-8H2,1H3/t11-,12-/m1/s1
InChIKeyPZTUVVPYMMFSAE-VXGBXAGGSA-N
MW223.32 g/mol
LogP2.10
Rot. Bonds4

About trans-(1R,2R)-2-(4-butyltriazol-1-yl)cyclohexan-1-ol

trans-(1R,2R)-2-(4-butyltriazol-1-yl)cyclohexan-1-ol (PubChem CID 101445678) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-butyltriazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-butyltriazol-1-yl)cyclohexan-1-ol
PubChem CID101445678
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Nametrans-(1R,2R)-2-(4-butyltriazol-1-yl)cyclohexan-1-ol
SMILESCCCCc1cn([C@@H]2CCCC[C@H]2O)nn1
InChIInChI=1S/C12H21N3O/c1-2-3-6-10-9-15(14-13-10)11-7-4-5-8-12(11)16/h9,11-12,16H,2-8H2,1H3/t11-,12-/m1/s1
InChIKeyPZTUVVPYMMFSAE-VXGBXAGGSA-N
XLogP2.10
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-2-(4-butyltriazol-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-(3-hydroxypropyl)triazol-1-yl]cycloheptan-1-ol
CID 113374500
2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol
CID 116642075
3-[1-(2-hydroxycyclohexyl)triazol-4-yl]propanoic acid
CID 107460597
2-[1-(2-hydroxycycloheptyl)triazol-4-yl]acetic acid
CID 107461685
trans-(1R,2R)-4,4-bis(hydroxymethyl)-2-(4-pentyltriazol-1-yl)cyclopentan-1-ol
CID 24763252
(1S,2R)-2-(4-hexyltriazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 134957612
trans-(1R,2R)-2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol
CID 46861982
trans-(1R,2R)-2-[4-[[methyl(3-methylbutyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol
CID 46861983
2-(4-methyltriazol-1-yl)cyclopentan-1-ol
CID 77393104
4-butyl-1-(4-phenylpyrrolidin-3-yl)triazole
CID 90406890
4-butyl-1-[(3S,4R)-4-phenylpyrrolidin-3-yl]triazole
CID 90406891
4-butyl-1-hydroxytriazole
CID 70078176

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-butyltriazol-1-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(4-butyltriazol-1-yl)cyclohexan-1-ol (CID 101445678) is trans-(1R,2R)-2-(4-butyltriazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(4-butyltriazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(4-butyltriazol-1-yl)cyclohexan-1-ol is CCCCc1cn([C@@H]2CCCC[C@H]2O)nn1.
What is the InChIKey of trans-(1R,2R)-2-(4-butyltriazol-1-yl)cyclohexan-1-ol?
The InChIKey is PZTUVVPYMMFSAE-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-3-6-10-9-15(14-13-10)11-7-4-5-8-12(11)16/h9,11-12,16H,2-8H2,1H3/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4-butyltriazol-1-yl)cyclohexan-1-ol?
trans-(1R,2R)-2-(4-butyltriazol-1-yl)cyclohexan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-butyltriazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 101445678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).