[1-(3-phenylpropyl)triazol-4-yl]methanol

C12H15N3O — CID 62401838

IUPAC[1-(3-phenylpropyl)triazol-4-yl]methanol
SMILESOCc1cn(CCCc2ccccc2)nn1
InChIInChI=1S/C12H15N3O/c16-10-12-9-15(14-13-12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9,16H,4,7-8,10H2
InChIKeyNIMHPENWSQPVHV-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.40
Rot. Bonds5

About [1-(3-phenylpropyl)triazol-4-yl]methanol

[1-(3-phenylpropyl)triazol-4-yl]methanol (PubChem CID 62401838) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [1-(3-phenylpropyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-phenylpropyl)triazol-4-yl]methanol
PubChem CID62401838
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[1-(3-phenylpropyl)triazol-4-yl]methanol
SMILESOCc1cn(CCCc2ccccc2)nn1
InChIInChI=1S/C12H15N3O/c16-10-12-9-15(14-13-12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9,16H,4,7-8,10H2
InChIKeyNIMHPENWSQPVHV-UHFFFAOYSA-N
XLogP1.40
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(3-phenylpropyl)triazol-4-yl]pentanoic acid
CID 104538750
4-(3-chloropropyl)-1-(4-phenylbutyl)triazole
CID 114334578
2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide
CID 114778162
1-dodecyl-4-(2-phenylethyl)triazole
CID 56666794
3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine
CID 106220698
4-(2-chloroethyl)-1-(2-phenylethyl)triazole
CID 62401597
2-[1-(3-phenylpropyl)triazol-4-yl]propan-2-amine
CID 63999545
1-benzyl-4-(2-phenylethyl)triazole
CID 56666792
[1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride
CID 86262352
(E)-N-hydroxy-3-[1-(3-phenylpropyl)triazol-4-yl]prop-2-enamide
CID 135903294
bis[[1-(2-phenylethyl)triazol-4-yl]methyl] propanedioate
CID 70688213
[1-[(2R)-2-amino-2-phenylethyl]triazol-4-yl]methanol
CID 129494944

Frequently Asked Questions

What is the IUPAC name of [1-(3-phenylpropyl)triazol-4-yl]methanol?
The IUPAC name of [1-(3-phenylpropyl)triazol-4-yl]methanol (CID 62401838) is [1-(3-phenylpropyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(3-phenylpropyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(3-phenylpropyl)triazol-4-yl]methanol is OCc1cn(CCCc2ccccc2)nn1.
What is the InChIKey of [1-(3-phenylpropyl)triazol-4-yl]methanol?
The InChIKey is NIMHPENWSQPVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-10-12-9-15(14-13-12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9,16H,4,7-8,10H2.
What are the key properties of [1-(3-phenylpropyl)triazol-4-yl]methanol?
[1-(3-phenylpropyl)triazol-4-yl]methanol has a molecular weight of 217.27 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-phenylpropyl)triazol-4-yl]methanol is sourced from PubChem (CID 62401838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).