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

C12H12F3N3O — CID 114684911

IUPAC(3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol
SMILESCCCn1nncc1C(O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H12F3N3O/c1-2-3-18-10(6-16-17-18)12(19)7-4-8(13)11(15)9(14)5-7/h4-6,12,19H,2-3H2,1H3
InChIKeyHPYJBNDMUXMNRU-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.19
Rot. Bonds4

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

(3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol (PubChem CID 114684911) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is (3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol.

Molecular Properties

Compound Name(3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol
PubChem CID114684911
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name(3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol
SMILESCCCn1nncc1C(O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H12F3N3O/c1-2-3-18-10(6-16-17-18)12(19)7-4-8(13)11(15)9(14)5-7/h4-6,12,19H,2-3H2,1H3
InChIKeyHPYJBNDMUXMNRU-UHFFFAOYSA-N
XLogP2.19
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)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

(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684920
(3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114685101
(4-methylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684818
(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
(2-amino-5-fluorophenyl)-(3-propyltriazol-4-yl)methanol
CID 114686729
(4-bromo-3-methylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114685279
(2-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methanol
CID 115834049
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114687190
(3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanone
CID 114685686
(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-propyltriazol-4-yl)methanol
CID 114684943

Frequently Asked Questions

What is the IUPAC name of (3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol?
The IUPAC name of (3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol (CID 114684911) is (3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol.
What is the SMILES notation for (3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol?
The canonical SMILES for (3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol is CCCn1nncc1C(O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of (3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol?
The InChIKey is HPYJBNDMUXMNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-2-3-18-10(6-16-17-18)12(19)7-4-8(13)11(15)9(14)5-7/h4-6,12,19H,2-3H2,1H3.
What are the key properties of (3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol?
(3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol has a molecular weight of 271.24 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol is sourced from PubChem (CID 114684911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).