3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)pyridine

C10H12N4 — CID 175633387

IUPAC3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)pyridine
SMILESCC(C)c1cncc(-c2ncn[nH]2)c1
InChIInChI=1S/C10H12N4/c1-7(2)8-3-9(5-11-4-8)10-12-6-13-14-10/h3-7H,1-2H3,(H,12,13,14)
InChIKeyOJLMIEADDAMZRY-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.99
Rot. Bonds2

About 3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)pyridine

3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)pyridine (PubChem CID 175633387) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)pyridine.

Molecular Properties

Compound Name3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)pyridine
PubChem CID175633387
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)pyridine
SMILESCC(C)c1cncc(-c2ncn[nH]2)c1
InChIInChI=1S/C10H12N4/c1-7(2)8-3-9(5-11-4-8)10-12-6-13-14-10/h3-7H,1-2H3,(H,12,13,14)
InChIKeyOJLMIEADDAMZRY-UHFFFAOYSA-N
XLogP1.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)pyridine 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 3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)pyridine?
The IUPAC name of 3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)pyridine (CID 175633387) is 3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)pyridine.
What is the SMILES notation for 3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)pyridine?
The canonical SMILES for 3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)pyridine is CC(C)c1cncc(-c2ncn[nH]2)c1.
What is the InChIKey of 3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)pyridine?
The InChIKey is OJLMIEADDAMZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-7(2)8-3-9(5-11-4-8)10-12-6-13-14-10/h3-7H,1-2H3,(H,12,13,14).
What are the key properties of 3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)pyridine?
3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)pyridine has a molecular weight of 188.23 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)pyridine is sourced from PubChem (CID 175633387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).