5-(2-methylpropyl)-2-(2-methyltriazol-4-yl)pyridine

C12H16N4 — CID 138622767

IUPAC5-(2-methylpropyl)-2-(2-methyltriazol-4-yl)pyridine
SMILESCC(C)Cc1ccc(-c2cnn(C)n2)nc1
InChIInChI=1S/C12H16N4/c1-9(2)6-10-4-5-11(13-7-10)12-8-14-16(3)15-12/h4-5,7-9H,6H2,1-3H3
InChIKeyUFSGWGWYVBYZOZ-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.08
Rot. Bonds3

About 5-(2-methylpropyl)-2-(2-methyltriazol-4-yl)pyridine

5-(2-methylpropyl)-2-(2-methyltriazol-4-yl)pyridine (PubChem CID 138622767) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-(2-methyltriazol-4-yl)pyridine.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-(2-methyltriazol-4-yl)pyridine
PubChem CID138622767
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name5-(2-methylpropyl)-2-(2-methyltriazol-4-yl)pyridine
SMILESCC(C)Cc1ccc(-c2cnn(C)n2)nc1
InChIInChI=1S/C12H16N4/c1-9(2)6-10-4-5-11(13-7-10)12-8-14-16(3)15-12/h4-5,7-9H,6H2,1-3H3
InChIKeyUFSGWGWYVBYZOZ-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-(2-methyltriazol-4-yl)pyridine?
The IUPAC name of 5-(2-methylpropyl)-2-(2-methyltriazol-4-yl)pyridine (CID 138622767) is 5-(2-methylpropyl)-2-(2-methyltriazol-4-yl)pyridine.
What is the SMILES notation for 5-(2-methylpropyl)-2-(2-methyltriazol-4-yl)pyridine?
The canonical SMILES for 5-(2-methylpropyl)-2-(2-methyltriazol-4-yl)pyridine is CC(C)Cc1ccc(-c2cnn(C)n2)nc1.
What is the InChIKey of 5-(2-methylpropyl)-2-(2-methyltriazol-4-yl)pyridine?
The InChIKey is UFSGWGWYVBYZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9(2)6-10-4-5-11(13-7-10)12-8-14-16(3)15-12/h4-5,7-9H,6H2,1-3H3.
What are the key properties of 5-(2-methylpropyl)-2-(2-methyltriazol-4-yl)pyridine?
5-(2-methylpropyl)-2-(2-methyltriazol-4-yl)pyridine has a molecular weight of 216.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2-(2-methyltriazol-4-yl)pyridine is sourced from PubChem (CID 138622767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).