3,5-dioxo-N-propan-2-yl-2H-1,2,4-triazine-6-carboxamide

C7H10N4O3 — CID 110701952

IUPAC3,5-dioxo-N-propan-2-yl-2H-1,2,4-triazine-6-carboxamide
SMILESCC(C)NC(=O)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H10N4O3/c1-3(2)8-5(12)4-6(13)9-7(14)11-10-4/h3H,1-2H3,(H,8,12)(H2,9,11,13,14)
InChIKeyDLDXTAFLXWNVCM-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.40
Rot. Bonds2

About 3,5-dioxo-N-propan-2-yl-2H-1,2,4-triazine-6-carboxamide

3,5-dioxo-N-propan-2-yl-2H-1,2,4-triazine-6-carboxamide (PubChem CID 110701952) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 3,5-dioxo-N-propan-2-yl-2H-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name3,5-dioxo-N-propan-2-yl-2H-1,2,4-triazine-6-carboxamide
PubChem CID110701952
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name3,5-dioxo-N-propan-2-yl-2H-1,2,4-triazine-6-carboxamide
SMILESCC(C)NC(=O)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H10N4O3/c1-3(2)8-5(12)4-6(13)9-7(14)11-10-4/h3H,1-2H3,(H,8,12)(H2,9,11,13,14)
InChIKeyDLDXTAFLXWNVCM-UHFFFAOYSA-N
XLogP-1.40
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-N-propan-2-yl-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136831978
N-(3,5-dimethylphenyl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
CID 110702050
N-(4-methyl-1,3-thiazol-2-yl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
CID 110702123
3,5-dioxo-N-(pyridin-4-ylmethyl)-2H-1,2,4-triazine-6-carboxamide
CID 110701992
5-hydroxy-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide
CID 136501496
N-[4-(diethylamino)phenyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
CID 110702097
3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]butanoic acid
CID 43646810
methyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]butanoate
CID 2789414
1-methyl-3-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]urea
CID 137262526
5-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110847845
4-amino-5-cyclopropyl-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-3-carboxamide
CID 62077789
4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 94344980

Frequently Asked Questions

What is the IUPAC name of 3,5-dioxo-N-propan-2-yl-2H-1,2,4-triazine-6-carboxamide?
The IUPAC name of 3,5-dioxo-N-propan-2-yl-2H-1,2,4-triazine-6-carboxamide (CID 110701952) is 3,5-dioxo-N-propan-2-yl-2H-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 3,5-dioxo-N-propan-2-yl-2H-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 3,5-dioxo-N-propan-2-yl-2H-1,2,4-triazine-6-carboxamide is CC(C)NC(=O)c1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 3,5-dioxo-N-propan-2-yl-2H-1,2,4-triazine-6-carboxamide?
The InChIKey is DLDXTAFLXWNVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-3(2)8-5(12)4-6(13)9-7(14)11-10-4/h3H,1-2H3,(H,8,12)(H2,9,11,13,14).
What are the key properties of 3,5-dioxo-N-propan-2-yl-2H-1,2,4-triazine-6-carboxamide?
3,5-dioxo-N-propan-2-yl-2H-1,2,4-triazine-6-carboxamide has a molecular weight of 198.18 g/mol, XLogP of -1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dioxo-N-propan-2-yl-2H-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 110701952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).