2-(5-butan-2-yl-1-methyltriazol-4-yl)pyridine

C12H16N4 — CID 166108646

IUPAC2-(5-butan-2-yl-1-methyltriazol-4-yl)pyridine
SMILESCCC(C)c1c(-c2ccccn2)nnn1C
InChIInChI=1S/C12H16N4/c1-4-9(2)12-11(14-15-16(12)3)10-7-5-6-8-13-10/h5-9H,4H2,1-3H3
InChIKeyNEATYDZEMIROPS-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.39
Rot. Bonds3

About 2-(5-butan-2-yl-1-methyltriazol-4-yl)pyridine

2-(5-butan-2-yl-1-methyltriazol-4-yl)pyridine (PubChem CID 166108646) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-(5-butan-2-yl-1-methyltriazol-4-yl)pyridine.

Molecular Properties

Compound Name2-(5-butan-2-yl-1-methyltriazol-4-yl)pyridine
PubChem CID166108646
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-(5-butan-2-yl-1-methyltriazol-4-yl)pyridine
SMILESCCC(C)c1c(-c2ccccn2)nnn1C
InChIInChI=1S/C12H16N4/c1-4-9(2)12-11(14-15-16(12)3)10-7-5-6-8-13-10/h5-9H,4H2,1-3H3
InChIKeyNEATYDZEMIROPS-UHFFFAOYSA-N
XLogP2.39
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-butan-2-yl-1-methyltriazol-4-yl)pyridine?
The IUPAC name of 2-(5-butan-2-yl-1-methyltriazol-4-yl)pyridine (CID 166108646) is 2-(5-butan-2-yl-1-methyltriazol-4-yl)pyridine.
What is the SMILES notation for 2-(5-butan-2-yl-1-methyltriazol-4-yl)pyridine?
The canonical SMILES for 2-(5-butan-2-yl-1-methyltriazol-4-yl)pyridine is CCC(C)c1c(-c2ccccn2)nnn1C.
What is the InChIKey of 2-(5-butan-2-yl-1-methyltriazol-4-yl)pyridine?
The InChIKey is NEATYDZEMIROPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-4-9(2)12-11(14-15-16(12)3)10-7-5-6-8-13-10/h5-9H,4H2,1-3H3.
What are the key properties of 2-(5-butan-2-yl-1-methyltriazol-4-yl)pyridine?
2-(5-butan-2-yl-1-methyltriazol-4-yl)pyridine has a molecular weight of 216.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-butan-2-yl-1-methyltriazol-4-yl)pyridine is sourced from PubChem (CID 166108646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).