1-[1-(2-chlorophenyl)triazol-4-yl]propan-2-ol

C11H12ClN3O — CID 117167437

IUPAC1-[1-(2-chlorophenyl)triazol-4-yl]propan-2-ol
SMILESCC(O)Cc1cn(-c2ccccc2Cl)nn1
InChIInChI=1S/C11H12ClN3O/c1-8(16)6-9-7-15(14-13-9)11-5-3-2-4-10(11)12/h2-5,7-8,16H,6H2,1H3
InChIKeyKPWJJXYNJPKPGE-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.84
Rot. Bonds3

About 1-[1-(2-chlorophenyl)triazol-4-yl]propan-2-ol

1-[1-(2-chlorophenyl)triazol-4-yl]propan-2-ol (PubChem CID 117167437) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)triazol-4-yl]propan-2-ol
PubChem CID117167437
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name1-[1-(2-chlorophenyl)triazol-4-yl]propan-2-ol
SMILESCC(O)Cc1cn(-c2ccccc2Cl)nn1
InChIInChI=1S/C11H12ClN3O/c1-8(16)6-9-7-15(14-13-9)11-5-3-2-4-10(11)12/h2-5,7-8,16H,6H2,1H3
InChIKeyKPWJJXYNJPKPGE-UHFFFAOYSA-N
XLogP1.84
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]propan-2-ol
CID 139020849
1-[1-(2-methylphenyl)triazol-4-yl]propan-2-amine
CID 117167503
1-[1-(3-bromophenyl)triazol-4-yl]propan-2-ol
CID 117167563
[1-(2-propan-2-ylphenyl)triazol-4-yl]methanol
CID 62400894
(2S)-2-[[1-(2,3-dichlorophenyl)triazol-4-yl]methyl-ethylamino]propan-1-ol
CID 167808709
2-[[1-(2,3-dichlorophenyl)triazol-4-yl]methylamino]propanoic acid
CID 120913278
3-[1-(2-methoxyphenyl)triazol-4-yl]-2-methylpropanoic acid
CID 117167556
N-[[1-(2-bromo-3-chlorophenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 103481809
1-(2-chlorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole
CID 169409619
[1-(2-chlorophenyl)triazol-4-yl]-morpholin-4-ylmethanethione
CID 1499686
N-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine
CID 117167498
(2S)-2-[[1-(2,3-dichlorophenyl)triazol-4-yl]methylamino]-3-methylbutanoic acid
CID 120510624

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)triazol-4-yl]propan-2-ol?
The IUPAC name of 1-[1-(2-chlorophenyl)triazol-4-yl]propan-2-ol (CID 117167437) is 1-[1-(2-chlorophenyl)triazol-4-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(2-chlorophenyl)triazol-4-yl]propan-2-ol?
The canonical SMILES for 1-[1-(2-chlorophenyl)triazol-4-yl]propan-2-ol is CC(O)Cc1cn(-c2ccccc2Cl)nn1.
What is the InChIKey of 1-[1-(2-chlorophenyl)triazol-4-yl]propan-2-ol?
The InChIKey is KPWJJXYNJPKPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-8(16)6-9-7-15(14-13-9)11-5-3-2-4-10(11)12/h2-5,7-8,16H,6H2,1H3.
What are the key properties of 1-[1-(2-chlorophenyl)triazol-4-yl]propan-2-ol?
1-[1-(2-chlorophenyl)triazol-4-yl]propan-2-ol has a molecular weight of 237.69 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)triazol-4-yl]propan-2-ol is sourced from PubChem (CID 117167437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).