5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyridine

C13H18N4 — CID 157318274

IUPAC5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyridine
SMILESCC(C)c1ccc(-n2cc(C(C)C)nn2)nc1
InChIInChI=1S/C13H18N4/c1-9(2)11-5-6-13(14-7-11)17-8-12(10(3)4)15-16-17/h5-10H,1-4H3
InChIKeyWGSVTWCNGKCEFL-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.91
Rot. Bonds3

About 5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyridine

5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyridine (PubChem CID 157318274) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyridine.

Molecular Properties

Compound Name5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyridine
PubChem CID157318274
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyridine
SMILESCC(C)c1ccc(-n2cc(C(C)C)nn2)nc1
InChIInChI=1S/C13H18N4/c1-9(2)11-5-6-13(14-7-11)17-8-12(10(3)4)15-16-17/h5-10H,1-4H3
InChIKeyWGSVTWCNGKCEFL-UHFFFAOYSA-N
XLogP2.91
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyridine?
The IUPAC name of 5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyridine (CID 157318274) is 5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyridine.
What is the SMILES notation for 5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyridine?
The canonical SMILES for 5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyridine is CC(C)c1ccc(-n2cc(C(C)C)nn2)nc1.
What is the InChIKey of 5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyridine?
The InChIKey is WGSVTWCNGKCEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9(2)11-5-6-13(14-7-11)17-8-12(10(3)4)15-16-17/h5-10H,1-4H3.
What are the key properties of 5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyridine?
5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyridine has a molecular weight of 230.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyridine is sourced from PubChem (CID 157318274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).