[5-methyl-1-(1-phenylethyl)triazol-4-yl]methanol

C12H15N3O — CID 82206167

IUPAC[5-methyl-1-(1-phenylethyl)triazol-4-yl]methanol
SMILESCc1c(CO)nnn1C(C)c1ccccc1
InChIInChI=1S/C12H15N3O/c1-9(11-6-4-3-5-7-11)15-10(2)12(8-16)13-14-15/h3-7,9,16H,8H2,1-2H3
InChIKeyGQQMFXYUZXZGCS-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.69
Rot. Bonds3

About [5-methyl-1-(1-phenylethyl)triazol-4-yl]methanol

[5-methyl-1-(1-phenylethyl)triazol-4-yl]methanol (PubChem CID 82206167) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [5-methyl-1-(1-phenylethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-methyl-1-(1-phenylethyl)triazol-4-yl]methanol
PubChem CID82206167
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[5-methyl-1-(1-phenylethyl)triazol-4-yl]methanol
SMILESCc1c(CO)nnn1C(C)c1ccccc1
InChIInChI=1S/C12H15N3O/c1-9(11-6-4-3-5-7-11)15-10(2)12(8-16)13-14-15/h3-7,9,16H,8H2,1-2H3
InChIKeyGQQMFXYUZXZGCS-UHFFFAOYSA-N
XLogP1.69
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-methyl-1-(1-phenylethyl)triazol-4-yl]propan-1-ol
CID 82206301
2-[5-methyl-1-(1-phenylethyl)triazol-4-yl]ethanamine
CID 82206303
[5-(4-fluorophenyl)-1-(1-phenylethyl)triazol-4-yl]methanol
CID 82206224
5-(2-methylpropyl)-1-(1-phenylethyl)triazole-4-carboxylic acid
CID 82206153
[1-(1-phenylethyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82206282
[5-[(E)-2-phenylethenyl]-1-(1-phenylethyl)triazol-4-yl]methanamine
CID 82206285
ethyl 1-(1-phenylethyl)-5-propan-2-yltriazole-4-carboxylate
CID 103105215
methyl 3-ethyl-5-methyl-1-(1-phenylethyl)pyrazole-4-carboxylate
CID 152766638
4-(hydroxymethyl)-1-[1-[(1S)-1-phenylethyl]tetrazol-5-yl]piperidin-4-ol
CID 95222706
4-(hydroxymethyl)-1-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]piperidin-4-ol
CID 95222707
1-[5-chloro-3-[(1R)-1-phenylethyl]triazol-4-yl]ethanone
CID 167321455
1-(1-phenylethyl)tetrazol-5-amine
CID 19981424

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(1-phenylethyl)triazol-4-yl]methanol?
The IUPAC name of [5-methyl-1-(1-phenylethyl)triazol-4-yl]methanol (CID 82206167) is [5-methyl-1-(1-phenylethyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-methyl-1-(1-phenylethyl)triazol-4-yl]methanol?
The canonical SMILES for [5-methyl-1-(1-phenylethyl)triazol-4-yl]methanol is Cc1c(CO)nnn1C(C)c1ccccc1.
What is the InChIKey of [5-methyl-1-(1-phenylethyl)triazol-4-yl]methanol?
The InChIKey is GQQMFXYUZXZGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(11-6-4-3-5-7-11)15-10(2)12(8-16)13-14-15/h3-7,9,16H,8H2,1-2H3.
What are the key properties of [5-methyl-1-(1-phenylethyl)triazol-4-yl]methanol?
[5-methyl-1-(1-phenylethyl)triazol-4-yl]methanol has a molecular weight of 217.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-(1-phenylethyl)triazol-4-yl]methanol is sourced from PubChem (CID 82206167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).