[5-[(4-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol

C14H19N3O — CID 113301704

IUPAC[5-[(4-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1Cc1ccc(C)cc1
InChIInChI=1S/C14H19N3O/c1-3-8-17-13(15-16-14(17)10-18)9-12-6-4-11(2)5-7-12/h4-7,18H,3,8-10H2,1-2H3
InChIKeyBKOIAQPICDVOSB-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.08
Rot. Bonds5

About [5-[(4-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol

[5-[(4-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol (PubChem CID 113301704) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [5-[(4-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[(4-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol
PubChem CID113301704
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[5-[(4-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1Cc1ccc(C)cc1
InChIInChI=1S/C14H19N3O/c1-3-8-17-13(15-16-14(17)10-18)9-12-6-4-11(2)5-7-12/h4-7,18H,3,8-10H2,1-2H3
InChIKeyBKOIAQPICDVOSB-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-[(4-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol 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-(4-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 115396895
[5-[(2,5-dimethylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol
CID 115396870
[5-[(2-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol
CID 113301706
[5-(2,5-dimethylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 113301734
3-(bromomethyl)-5-[(3-methylphenyl)methyl]-4-propyl-1,2,4-triazole
CID 113302508
3-(bromomethyl)-5-[(4-fluorophenyl)methyl]-4-propyl-1,2,4-triazole
CID 113302536
[4-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol
CID 115396597
[5-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 115396881
3-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]aniline
CID 65345660
[4-propyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanamine
CID 115944194
4-[5-(hydroxymethyl)-4-propyl-1,2,4-triazol-3-yl]benzonitrile
CID 113301742
[4-propyl-5-(3,4,5-trifluorophenyl)-1,2,4-triazol-3-yl]methanol
CID 115396767

Frequently Asked Questions

What is the IUPAC name of [5-[(4-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-[(4-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol (CID 113301704) is [5-[(4-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-[(4-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-[(4-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol is CCCn1c(CO)nnc1Cc1ccc(C)cc1.
What is the InChIKey of [5-[(4-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is BKOIAQPICDVOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-8-17-13(15-16-14(17)10-18)9-12-6-4-11(2)5-7-12/h4-7,18H,3,8-10H2,1-2H3.
What are the key properties of [5-[(4-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol?
[5-[(4-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 245.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 113301704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).