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

C11H14N4 — CID 166878634

IUPAC5-methyl-2-(5-propan-2-yl-1,2,4-triazol-1-yl)pyridine
SMILESCc1ccc(-n2ncnc2C(C)C)nc1
InChIInChI=1S/C11H14N4/c1-8(2)11-13-7-14-15(11)10-5-4-9(3)6-12-10/h4-8H,1-3H3
InChIKeyMXHUUACUTOFFTE-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.09
Rot. Bonds2

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

5-methyl-2-(5-propan-2-yl-1,2,4-triazol-1-yl)pyridine (PubChem CID 166878634) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-methyl-2-(5-propan-2-yl-1,2,4-triazol-1-yl)pyridine.

Molecular Properties

Compound Name5-methyl-2-(5-propan-2-yl-1,2,4-triazol-1-yl)pyridine
PubChem CID166878634
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name5-methyl-2-(5-propan-2-yl-1,2,4-triazol-1-yl)pyridine
SMILESCc1ccc(-n2ncnc2C(C)C)nc1
InChIInChI=1S/C11H14N4/c1-8(2)11-13-7-14-15(11)10-5-4-9(3)6-12-10/h4-8H,1-3H3
InChIKeyMXHUUACUTOFFTE-UHFFFAOYSA-N
XLogP2.09
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5-propan-2-yl-1,2,4-triazol-1-yl)pyridine?
The IUPAC name of 5-methyl-2-(5-propan-2-yl-1,2,4-triazol-1-yl)pyridine (CID 166878634) is 5-methyl-2-(5-propan-2-yl-1,2,4-triazol-1-yl)pyridine.
What is the SMILES notation for 5-methyl-2-(5-propan-2-yl-1,2,4-triazol-1-yl)pyridine?
The canonical SMILES for 5-methyl-2-(5-propan-2-yl-1,2,4-triazol-1-yl)pyridine is Cc1ccc(-n2ncnc2C(C)C)nc1.
What is the InChIKey of 5-methyl-2-(5-propan-2-yl-1,2,4-triazol-1-yl)pyridine?
The InChIKey is MXHUUACUTOFFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-8(2)11-13-7-14-15(11)10-5-4-9(3)6-12-10/h4-8H,1-3H3.
What are the key properties of 5-methyl-2-(5-propan-2-yl-1,2,4-triazol-1-yl)pyridine?
5-methyl-2-(5-propan-2-yl-1,2,4-triazol-1-yl)pyridine has a molecular weight of 202.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(5-propan-2-yl-1,2,4-triazol-1-yl)pyridine is sourced from PubChem (CID 166878634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).