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

C12H12N4O3 — CID 110702050

IUPACN-(3,5-dimethylphenyl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2n[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C12H12N4O3/c1-6-3-7(2)5-8(4-6)13-10(17)9-11(18)14-12(19)16-15-9/h3-5H,1-2H3,(H,13,17)(H2,14,16,18,19)
InChIKeyWTFOQVJJOZCWSL-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.33
Rot. Bonds2

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

N-(3,5-dimethylphenyl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide (PubChem CID 110702050) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
PubChem CID110702050
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC NameN-(3,5-dimethylphenyl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2n[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C12H12N4O3/c1-6-3-7(2)5-8(4-6)13-10(17)9-11(18)14-12(19)16-15-9/h3-5H,1-2H3,(H,13,17)(H2,14,16,18,19)
InChIKeyWTFOQVJJOZCWSL-UHFFFAOYSA-N
XLogP0.33
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 62082853
N-[4-(diethylamino)phenyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
CID 110702097
N-(3,5-dimethylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388886
N-(3,5-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 110857431
4-amino-5-ethyl-N-(3-fluoro-5-methylphenyl)-1H-pyrazole-3-carboxamide
CID 79048461
4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 62083149
N-(3,5-dimethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 110857507
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030468
4-bromo-N-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 903278
4-amino-N-(3,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082085
N-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide
CID 17477354
3,5-dioxo-N-(pyridin-4-ylmethyl)-2H-1,2,4-triazine-6-carboxamide
CID 110701992

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide (CID 110702050) is N-(3,5-dimethylphenyl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide is Cc1cc(C)cc(NC(=O)c2n[nH]c(=O)[nH]c2=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide?
The InChIKey is WTFOQVJJOZCWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-6-3-7(2)5-8(4-6)13-10(17)9-11(18)14-12(19)16-15-9/h3-5H,1-2H3,(H,13,17)(H2,14,16,18,19).
What are the key properties of N-(3,5-dimethylphenyl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide?
N-(3,5-dimethylphenyl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 110702050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).