(2-ethylpyrazol-3-yl) 2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

C14H14N6O2 — CID 141231482

IUPAC(2-ethylpyrazol-3-yl) 2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
SMILESCCn1nccc1OC(=O)c1ccc(-n2cncn2)nc1C
InChIInChI=1S/C14H14N6O2/c1-3-19-13(6-7-16-19)22-14(21)11-4-5-12(18-10(11)2)20-9-15-8-17-20/h4-9H,3H2,1-2H3
InChIKeyNYSGIGCZQJFAIC-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.41
Rot. Bonds4

About (2-ethylpyrazol-3-yl) 2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

(2-ethylpyrazol-3-yl) 2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate (PubChem CID 141231482) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl) 2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl) 2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
PubChem CID141231482
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name(2-ethylpyrazol-3-yl) 2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
SMILESCCn1nccc1OC(=O)c1ccc(-n2cncn2)nc1C
InChIInChI=1S/C14H14N6O2/c1-3-19-13(6-7-16-19)22-14(21)11-4-5-12(18-10(11)2)20-9-15-8-17-20/h4-9H,3H2,1-2H3
InChIKeyNYSGIGCZQJFAIC-UHFFFAOYSA-N
XLogP1.41
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl) 2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate?
The IUPAC name of (2-ethylpyrazol-3-yl) 2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate (CID 141231482) is (2-ethylpyrazol-3-yl) 2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for (2-ethylpyrazol-3-yl) 2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate?
The canonical SMILES for (2-ethylpyrazol-3-yl) 2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate is CCn1nccc1OC(=O)c1ccc(-n2cncn2)nc1C.
What is the InChIKey of (2-ethylpyrazol-3-yl) 2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate?
The InChIKey is NYSGIGCZQJFAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c1-3-19-13(6-7-16-19)22-14(21)11-4-5-12(18-10(11)2)20-9-15-8-17-20/h4-9H,3H2,1-2H3.
What are the key properties of (2-ethylpyrazol-3-yl) 2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate?
(2-ethylpyrazol-3-yl) 2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate has a molecular weight of 298.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl) 2-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 141231482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).