2-methyl-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine

C11H14N4 — CID 61348810

IUPAC2-methyl-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine
SMILESCc1ccc(-c2n[nH]c(C(C)C)n2)cn1
InChIInChI=1S/C11H14N4/c1-7(2)10-13-11(15-14-10)9-5-4-8(3)12-6-9/h4-7H,1-3H3,(H,13,14,15)
InChIKeyAAURKTJWMCQZIB-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.30
Rot. Bonds2

About 2-methyl-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine

2-methyl-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine (PubChem CID 61348810) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-methyl-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name2-methyl-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine
PubChem CID61348810
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-methyl-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine
SMILESCc1ccc(-c2n[nH]c(C(C)C)n2)cn1
InChIInChI=1S/C11H14N4/c1-7(2)10-13-11(15-14-10)9-5-4-8(3)12-6-9/h4-7H,1-3H3,(H,13,14,15)
InChIKeyAAURKTJWMCQZIB-UHFFFAOYSA-N
XLogP2.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 2-methyl-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine (CID 61348810) is 2-methyl-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 2-methyl-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 2-methyl-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine is Cc1ccc(-c2n[nH]c(C(C)C)n2)cn1.
What is the InChIKey of 2-methyl-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine?
The InChIKey is AAURKTJWMCQZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-7(2)10-13-11(15-14-10)9-5-4-8(3)12-6-9/h4-7H,1-3H3,(H,13,14,15).
What are the key properties of 2-methyl-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine?
2-methyl-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine has a molecular weight of 202.26 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 61348810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).