1-methyl-2-oxo-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide

C10H9N5O2 — CID 103696085

IUPAC1-methyl-2-oxo-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide
SMILESCn1ccc(C(=O)Nc2nccnn2)cc1=O
InChIInChI=1S/C10H9N5O2/c1-15-5-2-7(6-8(15)16)9(17)13-10-11-3-4-12-14-10/h2-6H,1H3,(H,11,13,14,17)
InChIKeyHDVRENHCBMEXLU-UHFFFAOYSA-N
MW231.22 g/mol
LogP-0.18
Rot. Bonds2

About 1-methyl-2-oxo-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide

1-methyl-2-oxo-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide (PubChem CID 103696085) has the molecular formula C10H9N5O2 and a molecular weight of 231.22 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide
PubChem CID103696085
Molecular FormulaC10H9N5O2
Molecular Weight231.22 g/mol
Exact Mass231.08
IUPAC Name1-methyl-2-oxo-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide
SMILESCn1ccc(C(=O)Nc2nccnn2)cc1=O
InChIInChI=1S/C10H9N5O2/c1-15-5-2-7(6-8(15)16)9(17)13-10-11-3-4-12-14-10/h2-6H,1H3,(H,11,13,14,17)
InChIKeyHDVRENHCBMEXLU-UHFFFAOYSA-N
XLogP-0.18
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide (CID 103696085) is 1-methyl-2-oxo-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide is Cn1ccc(C(=O)Nc2nccnn2)cc1=O.
What is the InChIKey of 1-methyl-2-oxo-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide?
The InChIKey is HDVRENHCBMEXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2/c1-15-5-2-7(6-8(15)16)9(17)13-10-11-3-4-12-14-10/h2-6H,1H3,(H,11,13,14,17).
What are the key properties of 1-methyl-2-oxo-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide?
1-methyl-2-oxo-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide has a molecular weight of 231.22 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 103696085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).