2-(3-pyridin-4-yl-1,2,4-triazol-4-yl)butan-1-ol

C11H14N4O — CID 3235743

IUPAC2-(3-pyridin-4-yl-1,2,4-triazol-4-yl)butan-1-ol
SMILESCCC(CO)n1cnnc1-c1ccncc1
InChIInChI=1S/C11H14N4O/c1-2-10(7-16)15-8-13-14-11(15)9-3-5-12-6-4-9/h3-6,8,10,16H,2,7H2,1H3
InChIKeyOYBUYSYZXPMVOD-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.28
Rot. Bonds4

About 2-(3-pyridin-4-yl-1,2,4-triazol-4-yl)butan-1-ol

2-(3-pyridin-4-yl-1,2,4-triazol-4-yl)butan-1-ol (PubChem CID 3235743) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(3-pyridin-4-yl-1,2,4-triazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name2-(3-pyridin-4-yl-1,2,4-triazol-4-yl)butan-1-ol
PubChem CID3235743
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-(3-pyridin-4-yl-1,2,4-triazol-4-yl)butan-1-ol
SMILESCCC(CO)n1cnnc1-c1ccncc1
InChIInChI=1S/C11H14N4O/c1-2-10(7-16)15-8-13-14-11(15)9-3-5-12-6-4-9/h3-6,8,10,16H,2,7H2,1H3
InChIKeyOYBUYSYZXPMVOD-UHFFFAOYSA-N
XLogP1.28
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-pyridin-4-yl-1,2,4-triazol-4-yl)butan-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

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-4-yl-1,2,4-triazol-4-yl)butan-1-ol?
The IUPAC name of 2-(3-pyridin-4-yl-1,2,4-triazol-4-yl)butan-1-ol (CID 3235743) is 2-(3-pyridin-4-yl-1,2,4-triazol-4-yl)butan-1-ol.
What is the SMILES notation for 2-(3-pyridin-4-yl-1,2,4-triazol-4-yl)butan-1-ol?
The canonical SMILES for 2-(3-pyridin-4-yl-1,2,4-triazol-4-yl)butan-1-ol is CCC(CO)n1cnnc1-c1ccncc1.
What is the InChIKey of 2-(3-pyridin-4-yl-1,2,4-triazol-4-yl)butan-1-ol?
The InChIKey is OYBUYSYZXPMVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-10(7-16)15-8-13-14-11(15)9-3-5-12-6-4-9/h3-6,8,10,16H,2,7H2,1H3.
What are the key properties of 2-(3-pyridin-4-yl-1,2,4-triazol-4-yl)butan-1-ol?
2-(3-pyridin-4-yl-1,2,4-triazol-4-yl)butan-1-ol has a molecular weight of 218.26 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-4-yl-1,2,4-triazol-4-yl)butan-1-ol is sourced from PubChem (CID 3235743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).