5,6-dioxo-N-propan-2-yl-1,4-dihydropyrazine-2-carboxamide

C8H11N3O3 — CID 90090174

IUPAC5,6-dioxo-N-propan-2-yl-1,4-dihydropyrazine-2-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c(=O)c(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-4(2)10-6(12)5-3-9-7(13)8(14)11-5/h3-4H,1-2H3,(H,9,13)(H,10,12)(H,11,14)
InChIKeyVLGJIKQQGSSWCI-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.80
Rot. Bonds2

About 5,6-dioxo-N-propan-2-yl-1,4-dihydropyrazine-2-carboxamide

5,6-dioxo-N-propan-2-yl-1,4-dihydropyrazine-2-carboxamide (PubChem CID 90090174) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 5,6-dioxo-N-propan-2-yl-1,4-dihydropyrazine-2-carboxamide.

Molecular Properties

Compound Name5,6-dioxo-N-propan-2-yl-1,4-dihydropyrazine-2-carboxamide
PubChem CID90090174
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name5,6-dioxo-N-propan-2-yl-1,4-dihydropyrazine-2-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c(=O)c(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-4(2)10-6(12)5-3-9-7(13)8(14)11-5/h3-4H,1-2H3,(H,9,13)(H,10,12)(H,11,14)
InChIKeyVLGJIKQQGSSWCI-UHFFFAOYSA-N
XLogP-0.80
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dioxo-N-propan-2-yl-1,4-dihydropyrazine-2-carboxamide?
The IUPAC name of 5,6-dioxo-N-propan-2-yl-1,4-dihydropyrazine-2-carboxamide (CID 90090174) is 5,6-dioxo-N-propan-2-yl-1,4-dihydropyrazine-2-carboxamide.
What is the SMILES notation for 5,6-dioxo-N-propan-2-yl-1,4-dihydropyrazine-2-carboxamide?
The canonical SMILES for 5,6-dioxo-N-propan-2-yl-1,4-dihydropyrazine-2-carboxamide is CC(C)NC(=O)c1c[nH]c(=O)c(=O)[nH]1.
What is the InChIKey of 5,6-dioxo-N-propan-2-yl-1,4-dihydropyrazine-2-carboxamide?
The InChIKey is VLGJIKQQGSSWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-4(2)10-6(12)5-3-9-7(13)8(14)11-5/h3-4H,1-2H3,(H,9,13)(H,10,12)(H,11,14).
What are the key properties of 5,6-dioxo-N-propan-2-yl-1,4-dihydropyrazine-2-carboxamide?
5,6-dioxo-N-propan-2-yl-1,4-dihydropyrazine-2-carboxamide has a molecular weight of 197.19 g/mol, XLogP of -0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dioxo-N-propan-2-yl-1,4-dihydropyrazine-2-carboxamide is sourced from PubChem (CID 90090174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).