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

C11H14N4 — CID 115393932

IUPAC2-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine
SMILESCc1ncccc1-c1nncn1C(C)C
InChIInChI=1S/C11H14N4/c1-8(2)15-7-13-14-11(15)10-5-4-6-12-9(10)3/h4-8H,1-3H3
InChIKeyIJAGIFHPHCPJCA-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.23
Rot. Bonds2

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

2-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine (PubChem CID 115393932) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name2-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine
PubChem CID115393932
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine
SMILESCc1ncccc1-c1nncn1C(C)C
InChIInChI=1S/C11H14N4/c1-8(2)15-7-13-14-11(15)10-5-4-6-12-9(10)3/h4-8H,1-3H3
InChIKeyIJAGIFHPHCPJCA-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 2-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine (CID 115393932) is 2-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 2-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 2-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine is Cc1ncccc1-c1nncn1C(C)C.
What is the InChIKey of 2-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine?
The InChIKey is IJAGIFHPHCPJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-8(2)15-7-13-14-11(15)10-5-4-6-12-9(10)3/h4-8H,1-3H3.
What are the key properties of 2-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine?
2-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine has a molecular weight of 202.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 115393932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).