3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-2-carboxamide

C13H16N6O — CID 114387665

IUPAC3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-2-carboxamide
SMILESCCc1nnc(NC(=O)c2ncccc2N)nc1CC
InChIInChI=1S/C13H16N6O/c1-3-9-10(4-2)18-19-13(16-9)17-12(20)11-8(14)6-5-7-15-11/h5-7H,3-4,14H2,1-2H3,(H,16,17,19,20)
InChIKeyGIDHATOESAQISN-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.23
Rot. Bonds4

About 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-2-carboxamide

3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-2-carboxamide (PubChem CID 114387665) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-2-carboxamide
PubChem CID114387665
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-2-carboxamide
SMILESCCc1nnc(NC(=O)c2ncccc2N)nc1CC
InChIInChI=1S/C13H16N6O/c1-3-9-10(4-2)18-19-13(16-9)17-12(20)11-8(14)6-5-7-15-11/h5-7H,3-4,14H2,1-2H3,(H,16,17,19,20)
InChIKeyGIDHATOESAQISN-UHFFFAOYSA-N
XLogP1.23
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-2-carboxamide (CID 114387665) is 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-2-carboxamide is CCc1nnc(NC(=O)c2ncccc2N)nc1CC.
What is the InChIKey of 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-2-carboxamide?
The InChIKey is GIDHATOESAQISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-3-9-10(4-2)18-19-13(16-9)17-12(20)11-8(14)6-5-7-15-11/h5-7H,3-4,14H2,1-2H3,(H,16,17,19,20).
What are the key properties of 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-2-carboxamide?
3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 114387665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).