(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol

C14H19N3O — CID 114684920

IUPAC(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)c1cc(C)cc(C)c1
InChIInChI=1S/C14H19N3O/c1-4-5-17-13(9-15-16-17)14(18)12-7-10(2)6-11(3)8-12/h6-9,14,18H,4-5H2,1-3H3
InChIKeyCDPOKMHUEGMBAD-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.39
Rot. Bonds4

About (3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol

(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol (PubChem CID 114684920) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol
PubChem CID114684920
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)c1cc(C)cc(C)c1
InChIInChI=1S/C14H19N3O/c1-4-5-17-13(9-15-16-17)14(18)12-7-10(2)6-11(3)8-12/h6-9,14,18H,4-5H2,1-3H3
InChIKeyCDPOKMHUEGMBAD-UHFFFAOYSA-N
XLogP2.39
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3,5-dimethylphenyl)-(3-propyltriazol-4-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

(4-methylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684818
(3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol
CID 114684911
2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686393
N-[(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038920
(4-bromo-3-methylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114685279
(3-propyltriazol-4-yl)-pyridazin-4-ylmethanol
CID 105126997
(5-iodothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
CID 115834141
(3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684701
(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-propyltriazol-4-yl)methanol
CID 114684943
(3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114685101
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688825
(7-methoxy-1,3-benzodioxol-5-yl)-(3-propyltriazol-4-yl)methanol
CID 114685479

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol?
The IUPAC name of (3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol (CID 114684920) is (3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol.
What is the SMILES notation for (3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol?
The canonical SMILES for (3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol is CCCn1nncc1C(O)c1cc(C)cc(C)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol?
The InChIKey is CDPOKMHUEGMBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-5-17-13(9-15-16-17)14(18)12-7-10(2)6-11(3)8-12/h6-9,14,18H,4-5H2,1-3H3.
What are the key properties of (3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol?
(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol has a molecular weight of 245.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol is sourced from PubChem (CID 114684920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).