1-(3-phenyltriazol-4-yl)pentan-3-ol

C13H17N3O — CID 114690535

IUPAC1-(3-phenyltriazol-4-yl)pentan-3-ol
SMILESCCC(O)CCc1cnnn1-c1ccccc1
InChIInChI=1S/C13H17N3O/c1-2-13(17)9-8-12-10-14-15-16(12)11-6-4-3-5-7-11/h3-7,10,13,17H,2,8-9H2,1H3
InChIKeyGQQNKXYFIOAVFR-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.97
Rot. Bonds5

About 1-(3-phenyltriazol-4-yl)pentan-3-ol

1-(3-phenyltriazol-4-yl)pentan-3-ol (PubChem CID 114690535) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(3-phenyltriazol-4-yl)pentan-3-ol.

Molecular Properties

Compound Name1-(3-phenyltriazol-4-yl)pentan-3-ol
PubChem CID114690535
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(3-phenyltriazol-4-yl)pentan-3-ol
SMILESCCC(O)CCc1cnnn1-c1ccccc1
InChIInChI=1S/C13H17N3O/c1-2-13(17)9-8-12-10-14-15-16(12)11-6-4-3-5-7-11/h3-7,10,13,17H,2,8-9H2,1H3
InChIKeyGQQNKXYFIOAVFR-UHFFFAOYSA-N
XLogP1.97
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-bromobutyl)-1-phenyltriazole
CID 114690605
5-(3-chloro-4-methylpentyl)-1-phenyltriazole
CID 114690591
2-(3-phenyltriazol-4-yl)ethanol
CID 24754561
5-(3-bromo-4,4-dimethylpentyl)-1-phenyltriazole
CID 114690627
5-(3-bromo-3-phenylpropyl)-1-phenyltriazole
CID 114690630
4-methyl-1-(3-phenyltriazol-4-yl)-N-propylpentan-3-amine
CID 114690410
2-(3-phenyltriazol-4-yl)ethanamine
CID 82200310
1-(3-phenyltriazol-4-yl)hexan-3-one
CID 114690267
1-phenyl-3-(3-phenyltriazol-4-yl)propan-1-one
CID 46890245
N-[(3-phenyltriazol-4-yl)methyl]propan-1-amine
CID 114687766
1-phenyl-3-(3-propyltriazol-4-yl)propan-1-ol
CID 114690545
2-(3-phenyltriazol-4-yl)acetaldehyde
CID 114690061

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyltriazol-4-yl)pentan-3-ol?
The IUPAC name of 1-(3-phenyltriazol-4-yl)pentan-3-ol (CID 114690535) is 1-(3-phenyltriazol-4-yl)pentan-3-ol.
What is the SMILES notation for 1-(3-phenyltriazol-4-yl)pentan-3-ol?
The canonical SMILES for 1-(3-phenyltriazol-4-yl)pentan-3-ol is CCC(O)CCc1cnnn1-c1ccccc1.
What is the InChIKey of 1-(3-phenyltriazol-4-yl)pentan-3-ol?
The InChIKey is GQQNKXYFIOAVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-13(17)9-8-12-10-14-15-16(12)11-6-4-3-5-7-11/h3-7,10,13,17H,2,8-9H2,1H3.
What are the key properties of 1-(3-phenyltriazol-4-yl)pentan-3-ol?
1-(3-phenyltriazol-4-yl)pentan-3-ol has a molecular weight of 231.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyltriazol-4-yl)pentan-3-ol is sourced from PubChem (CID 114690535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).