2-[[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]methyl]pyridine-4-carboxylic acid

C12H13N5O4 — CID 114324501

IUPAC2-[[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]methyl]pyridine-4-carboxylic acid
SMILESCn1nc(NCc2cc(C(=O)O)ccn2)c(=O)n(C)c1=O
InChIInChI=1S/C12H13N5O4/c1-16-10(18)9(15-17(2)12(16)21)14-6-8-5-7(11(19)20)3-4-13-8/h3-5H,6H2,1-2H3,(H,14,15)(H,19,20)
InChIKeyFWGHDQYAJIKKKT-UHFFFAOYSA-N
MW291.27 g/mol
LogP-0.82
Rot. Bonds4

About 2-[[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]methyl]pyridine-4-carboxylic acid

2-[[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]methyl]pyridine-4-carboxylic acid (PubChem CID 114324501) has the molecular formula C12H13N5O4 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-[[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]methyl]pyridine-4-carboxylic acid
PubChem CID114324501
Molecular FormulaC12H13N5O4
Molecular Weight291.27 g/mol
Exact Mass291.10
IUPAC Name2-[[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]methyl]pyridine-4-carboxylic acid
SMILESCn1nc(NCc2cc(C(=O)O)ccn2)c(=O)n(C)c1=O
InChIInChI=1S/C12H13N5O4/c1-16-10(18)9(15-17(2)12(16)21)14-6-8-5-7(11(19)20)3-4-13-8/h3-5H,6H2,1-2H3,(H,14,15)(H,19,20)
InChIKeyFWGHDQYAJIKKKT-UHFFFAOYSA-N
XLogP-0.82
TPSA119.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]methyl]pyridine-4-carboxylic acid with MolForge

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Related Compounds

2-[[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]methyl]pyridine-4-carboxylic acid
CID 103385145
2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid
CID 114324547
2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]pyridine-4-carboxylic acid
CID 61301283
2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyridine-4-carboxylic acid
CID 114324570
6-[(2-hydroxyphenyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 115598698
2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pyridine-4-carboxylic acid
CID 106534944
4-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]-3-fluorobenzoic acid
CID 63187864
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid
CID 114474614
2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]pyridine-4-carboxylic acid
CID 114324451
2-[[(3-methylimidazole-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 103510660
2-[(2-imidazol-1-ylethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325207

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]methyl]pyridine-4-carboxylic acid (CID 114324501) is 2-[[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]methyl]pyridine-4-carboxylic acid is Cn1nc(NCc2cc(C(=O)O)ccn2)c(=O)n(C)c1=O.
What is the InChIKey of 2-[[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is FWGHDQYAJIKKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O4/c1-16-10(18)9(15-17(2)12(16)21)14-6-8-5-7(11(19)20)3-4-13-8/h3-5H,6H2,1-2H3,(H,14,15)(H,19,20).
What are the key properties of 2-[[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]methyl]pyridine-4-carboxylic acid?
2-[[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]methyl]pyridine-4-carboxylic acid has a molecular weight of 291.27 g/mol, XLogP of -0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114324501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).