2-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanamide

C7H10N4O3 — CID 175403538

IUPAC2-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanamide
SMILESCc1nn(C(C)C(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C7H10N4O3/c1-3-6(13)9-7(14)11(10-3)4(2)5(8)12/h4H,1-2H3,(H2,8,12)(H,9,13,14)
InChIKeyGQPCQNLXUJROJT-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.71
Rot. Bonds2

About 2-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanamide

2-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanamide (PubChem CID 175403538) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanamide.

Molecular Properties

Compound Name2-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanamide
PubChem CID175403538
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name2-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanamide
SMILESCc1nn(C(C)C(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C7H10N4O3/c1-3-6(13)9-7(14)11(10-3)4(2)5(8)12/h4H,1-2H3,(H2,8,12)(H,9,13,14)
InChIKeyGQPCQNLXUJROJT-UHFFFAOYSA-N
XLogP-1.71
TPSA110.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanamide?
The IUPAC name of 2-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanamide (CID 175403538) is 2-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanamide.
What is the SMILES notation for 2-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanamide?
The canonical SMILES for 2-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanamide is Cc1nn(C(C)C(N)=O)c(=O)[nH]c1=O.
What is the InChIKey of 2-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanamide?
The InChIKey is GQPCQNLXUJROJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-3-6(13)9-7(14)11(10-3)4(2)5(8)12/h4H,1-2H3,(H2,8,12)(H,9,13,14).
What are the key properties of 2-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanamide?
2-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanamide has a molecular weight of 198.18 g/mol, XLogP of -1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanamide is sourced from PubChem (CID 175403538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).