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

C10H12N4 — CID 67734802

IUPAC4-(2-propan-2-yl-1,2,4-triazol-3-yl)pyridine
SMILESCC(C)n1ncnc1-c1ccncc1
InChIInChI=1S/C10H12N4/c1-8(2)14-10(12-7-13-14)9-3-5-11-6-4-9/h3-8H,1-2H3
InChIKeyQKRXHRJSPRLBBW-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.92
Rot. Bonds2

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

4-(2-propan-2-yl-1,2,4-triazol-3-yl)pyridine (PubChem CID 67734802) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-(2-propan-2-yl-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name4-(2-propan-2-yl-1,2,4-triazol-3-yl)pyridine
PubChem CID67734802
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name4-(2-propan-2-yl-1,2,4-triazol-3-yl)pyridine
SMILESCC(C)n1ncnc1-c1ccncc1
InChIInChI=1S/C10H12N4/c1-8(2)14-10(12-7-13-14)9-3-5-11-6-4-9/h3-8H,1-2H3
InChIKeyQKRXHRJSPRLBBW-UHFFFAOYSA-N
XLogP1.92
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-yl-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 4-(2-propan-2-yl-1,2,4-triazol-3-yl)pyridine (CID 67734802) is 4-(2-propan-2-yl-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 4-(2-propan-2-yl-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 4-(2-propan-2-yl-1,2,4-triazol-3-yl)pyridine is CC(C)n1ncnc1-c1ccncc1.
What is the InChIKey of 4-(2-propan-2-yl-1,2,4-triazol-3-yl)pyridine?
The InChIKey is QKRXHRJSPRLBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-8(2)14-10(12-7-13-14)9-3-5-11-6-4-9/h3-8H,1-2H3.
What are the key properties of 4-(2-propan-2-yl-1,2,4-triazol-3-yl)pyridine?
4-(2-propan-2-yl-1,2,4-triazol-3-yl)pyridine has a molecular weight of 188.23 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-yl-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 67734802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).