2-(3-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol

C15H21N3O — CID 79424033

IUPAC2-(3-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCCCn1ncnc1CC(CO)c1cccc(C)c1
InChIInChI=1S/C15H21N3O/c1-3-7-18-15(16-11-17-18)9-14(10-19)13-6-4-5-12(2)8-13/h4-6,8,11,14,19H,3,7,9-10H2,1-2H3
InChIKeyCUZAHVZQAQVRFZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.32
Rot. Bonds6

About 2-(3-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol

2-(3-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol (PubChem CID 79424033) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(3-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-(3-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol
PubChem CID79424033
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(3-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCCCn1ncnc1CC(CO)c1cccc(C)c1
InChIInChI=1S/C15H21N3O/c1-3-7-18-15(16-11-17-18)9-14(10-19)13-6-4-5-12(2)8-13/h4-6,8,11,14,19H,3,7,9-10H2,1-2H3
InChIKeyCUZAHVZQAQVRFZ-UHFFFAOYSA-N
XLogP2.32
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-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-[3-bromo-2-(3-methylphenyl)propyl]-1-propyl-1,2,4-triazole
CID 79424338
4-(3-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162672
4-(3-methylphenoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162519
2-[(3-fluorophenyl)methyl]-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol
CID 66057605
4-(3-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one
CID 105112161
1-(5-methyl-3-pyridinyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105162641
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824
(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
CID 86327369
[1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105199354
2-cyclopentyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol
CID 112570348
N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79422698
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-(3-methylphenyl)propan-1-ol
CID 79424330

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol?
The IUPAC name of 2-(3-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol (CID 79424033) is 2-(3-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-(3-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol?
The canonical SMILES for 2-(3-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol is CCCn1ncnc1CC(CO)c1cccc(C)c1.
What is the InChIKey of 2-(3-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol?
The InChIKey is CUZAHVZQAQVRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-7-18-15(16-11-17-18)9-14(10-19)13-6-4-5-12(2)8-13/h4-6,8,11,14,19H,3,7,9-10H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol?
2-(3-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol is sourced from PubChem (CID 79424033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).