3-[5-methyl-1-(1-phenylethyl)triazol-4-yl]propan-1-ol

C14H19N3O — CID 82206301

IUPAC3-[5-methyl-1-(1-phenylethyl)triazol-4-yl]propan-1-ol
SMILESCc1c(CCCO)nnn1C(C)c1ccccc1
InChIInChI=1S/C14H19N3O/c1-11(13-7-4-3-5-8-13)17-12(2)14(15-16-17)9-6-10-18/h3-5,7-8,11,18H,6,9-10H2,1-2H3
InChIKeyLUZJJVNMKPABAO-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.12
Rot. Bonds5

About 3-[5-methyl-1-(1-phenylethyl)triazol-4-yl]propan-1-ol

3-[5-methyl-1-(1-phenylethyl)triazol-4-yl]propan-1-ol (PubChem CID 82206301) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[5-methyl-1-(1-phenylethyl)triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-methyl-1-(1-phenylethyl)triazol-4-yl]propan-1-ol
PubChem CID82206301
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[5-methyl-1-(1-phenylethyl)triazol-4-yl]propan-1-ol
SMILESCc1c(CCCO)nnn1C(C)c1ccccc1
InChIInChI=1S/C14H19N3O/c1-11(13-7-4-3-5-8-13)17-12(2)14(15-16-17)9-6-10-18/h3-5,7-8,11,18H,6,9-10H2,1-2H3
InChIKeyLUZJJVNMKPABAO-UHFFFAOYSA-N
XLogP2.12
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-methyl-1-(1-phenylethyl)triazol-4-yl]propan-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

[5-methyl-1-(1-phenylethyl)triazol-4-yl]methanol
CID 82206167
2-[5-methyl-1-(1-phenylethyl)triazol-4-yl]ethanamine
CID 82206303
3-[5-methyl-1-(2-methylpropyl)triazol-4-yl]propan-1-ol
CID 82208862
[5-(4-fluorophenyl)-1-(1-phenylethyl)triazol-4-yl]methanol
CID 82206224
[1-(1-phenylethyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82206282
5-(2-methylpropyl)-1-(1-phenylethyl)triazole-4-carboxylic acid
CID 82206153
[5-[(E)-2-phenylethenyl]-1-(1-phenylethyl)triazol-4-yl]methanamine
CID 82206285
3-[1-(1-phenylethyl)tetrazol-5-yl]propan-1-amine
CID 82228413
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

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-1-(1-phenylethyl)triazol-4-yl]propan-1-ol?
The IUPAC name of 3-[5-methyl-1-(1-phenylethyl)triazol-4-yl]propan-1-ol (CID 82206301) is 3-[5-methyl-1-(1-phenylethyl)triazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[5-methyl-1-(1-phenylethyl)triazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[5-methyl-1-(1-phenylethyl)triazol-4-yl]propan-1-ol is Cc1c(CCCO)nnn1C(C)c1ccccc1.
What is the InChIKey of 3-[5-methyl-1-(1-phenylethyl)triazol-4-yl]propan-1-ol?
The InChIKey is LUZJJVNMKPABAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(13-7-4-3-5-8-13)17-12(2)14(15-16-17)9-6-10-18/h3-5,7-8,11,18H,6,9-10H2,1-2H3.
What are the key properties of 3-[5-methyl-1-(1-phenylethyl)triazol-4-yl]propan-1-ol?
3-[5-methyl-1-(1-phenylethyl)triazol-4-yl]propan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-1-(1-phenylethyl)triazol-4-yl]propan-1-ol is sourced from PubChem (CID 82206301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).