3,5-dioxo-N-(pyridin-4-ylmethyl)-2H-1,2,4-triazine-6-carboxamide

C10H9N5O3 — CID 110701992

IUPAC3,5-dioxo-N-(pyridin-4-ylmethyl)-2H-1,2,4-triazine-6-carboxamide
SMILESO=C(NCc1ccncc1)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H9N5O3/c16-8(7-9(17)13-10(18)15-14-7)12-5-6-1-3-11-4-2-6/h1-4H,5H2,(H,12,16)(H2,13,15,17,18)
InChIKeyUOILGYRKQFNSQS-UHFFFAOYSA-N
MW247.21 g/mol
LogP-1.22
Rot. Bonds3

About 3,5-dioxo-N-(pyridin-4-ylmethyl)-2H-1,2,4-triazine-6-carboxamide

3,5-dioxo-N-(pyridin-4-ylmethyl)-2H-1,2,4-triazine-6-carboxamide (PubChem CID 110701992) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is 3,5-dioxo-N-(pyridin-4-ylmethyl)-2H-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name3,5-dioxo-N-(pyridin-4-ylmethyl)-2H-1,2,4-triazine-6-carboxamide
PubChem CID110701992
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name3,5-dioxo-N-(pyridin-4-ylmethyl)-2H-1,2,4-triazine-6-carboxamide
SMILESO=C(NCc1ccncc1)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H9N5O3/c16-8(7-9(17)13-10(18)15-14-7)12-5-6-1-3-11-4-2-6/h1-4H,5H2,(H,12,16)(H2,13,15,17,18)
InChIKeyUOILGYRKQFNSQS-UHFFFAOYSA-N
XLogP-1.22
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 63107423
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CID 54706702
2-oxo-3-(pyridin-4-ylmethylcarbamoyl)-1H-quinolin-4-olate
CID 51450902
3-(pyridin-4-ylmethylcarbamoyl)pyrazine-2-carboxylic acid
CID 2826173
2-(4,5-dichloro-6-oxo-1H-pyridazin-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 91403681
4-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide
CID 110648335
6-(4-methylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide
CID 66497649
2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide
CID 113254463
N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)oxamide
CID 18567098
4-oxo-N-(pyridin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 141129830
6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-(pyridin-4-ylmethyl)-1H-pyridazine-5-carboxamide
CID 135401020
N-[2-(1H-indol-3-yl)ethyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
CID 110702006

Frequently Asked Questions

What is the IUPAC name of 3,5-dioxo-N-(pyridin-4-ylmethyl)-2H-1,2,4-triazine-6-carboxamide?
The IUPAC name of 3,5-dioxo-N-(pyridin-4-ylmethyl)-2H-1,2,4-triazine-6-carboxamide (CID 110701992) is 3,5-dioxo-N-(pyridin-4-ylmethyl)-2H-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 3,5-dioxo-N-(pyridin-4-ylmethyl)-2H-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 3,5-dioxo-N-(pyridin-4-ylmethyl)-2H-1,2,4-triazine-6-carboxamide is O=C(NCc1ccncc1)c1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 3,5-dioxo-N-(pyridin-4-ylmethyl)-2H-1,2,4-triazine-6-carboxamide?
The InChIKey is UOILGYRKQFNSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3/c16-8(7-9(17)13-10(18)15-14-7)12-5-6-1-3-11-4-2-6/h1-4H,5H2,(H,12,16)(H2,13,15,17,18).
What are the key properties of 3,5-dioxo-N-(pyridin-4-ylmethyl)-2H-1,2,4-triazine-6-carboxamide?
3,5-dioxo-N-(pyridin-4-ylmethyl)-2H-1,2,4-triazine-6-carboxamide has a molecular weight of 247.21 g/mol, XLogP of -1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dioxo-N-(pyridin-4-ylmethyl)-2H-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 110701992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).