6-chloro-3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide;3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide

C10H13ClN6O4 — CID 162130008

IUPAC6-chloro-3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide;3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide
SMILESNC(=O)C1NC(Cl)=CNC1=O.NC(=O)C1NC=CNC1=O
InChIInChI=1S/C5H6ClN3O2.C5H7N3O2/c6-2-1-8-5(11)3(9-2)4(7)10;6-4(9)3-5(10)8-2-1-7-3/h1,3,9H,(H2,7,10)(H,8,11);1-3,7H,(H2,6,9)(H,8,10)
InChIKeyZINPTPDKKZJRGH-UHFFFAOYSA-N
MW316.71 g/mol
LogP-3.37
Rot. Bonds2

About 6-chloro-3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide;3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide

6-chloro-3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide;3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide (PubChem CID 162130008) has the molecular formula C10H13ClN6O4 and a molecular weight of 316.71 g/mol. Its IUPAC name is 6-chloro-3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide;3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide;3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide
PubChem CID162130008
Molecular FormulaC10H13ClN6O4
Molecular Weight316.71 g/mol
Exact Mass316.07
IUPAC Name6-chloro-3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide;3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide
SMILESNC(=O)C1NC(Cl)=CNC1=O.NC(=O)C1NC=CNC1=O
InChIInChI=1S/C5H6ClN3O2.C5H7N3O2/c6-2-1-8-5(11)3(9-2)4(7)10;6-4(9)3-5(10)8-2-1-7-3/h1,3,9H,(H2,7,10)(H,8,11);1-3,7H,(H2,6,9)(H,8,10)
InChIKeyZINPTPDKKZJRGH-UHFFFAOYSA-N
XLogP-3.37
TPSA168.44 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.71
LogP ≤ 5-3.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide;3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide;3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide (CID 162130008) is 6-chloro-3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide;3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide;3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide;3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide is NC(=O)C1NC(Cl)=CNC1=O.NC(=O)C1NC=CNC1=O.
What is the InChIKey of 6-chloro-3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide;3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide?
The InChIKey is ZINPTPDKKZJRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O2.C5H7N3O2/c6-2-1-8-5(11)3(9-2)4(7)10;6-4(9)3-5(10)8-2-1-7-3/h1,3,9H,(H2,7,10)(H,8,11);1-3,7H,(H2,6,9)(H,8,10).
What are the key properties of 6-chloro-3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide;3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide?
6-chloro-3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide;3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide has a molecular weight of 316.71 g/mol, XLogP of -3.37, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide;3-oxo-2,4-dihydro-1H-pyrazine-2-carboxamide is sourced from PubChem (CID 162130008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).