6-oxo-N-propyl-1H-pyrazine-2-carboxamide

C8H11N3O2 — CID 173000031

IUPAC6-oxo-N-propyl-1H-pyrazine-2-carboxamide
SMILESCCCNC(=O)c1cncc(=O)[nH]1
InChIInChI=1S/C8H11N3O2/c1-2-3-10-8(13)6-4-9-5-7(12)11-6/h4-5H,2-3H2,1H3,(H,10,13)(H,11,12)
InChIKeyHHQKAZVPGPUQJB-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.09
Rot. Bonds3

About 6-oxo-N-propyl-1H-pyrazine-2-carboxamide

6-oxo-N-propyl-1H-pyrazine-2-carboxamide (PubChem CID 173000031) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is 6-oxo-N-propyl-1H-pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-oxo-N-propyl-1H-pyrazine-2-carboxamide
PubChem CID173000031
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Name6-oxo-N-propyl-1H-pyrazine-2-carboxamide
SMILESCCCNC(=O)c1cncc(=O)[nH]1
InChIInChI=1S/C8H11N3O2/c1-2-3-10-8(13)6-4-9-5-7(12)11-6/h4-5H,2-3H2,1H3,(H,10,13)(H,11,12)
InChIKeyHHQKAZVPGPUQJB-UHFFFAOYSA-N
XLogP-0.09
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-propyl-1H-pyrazine-2-carboxamide?
The IUPAC name of 6-oxo-N-propyl-1H-pyrazine-2-carboxamide (CID 173000031) is 6-oxo-N-propyl-1H-pyrazine-2-carboxamide.
What is the SMILES notation for 6-oxo-N-propyl-1H-pyrazine-2-carboxamide?
The canonical SMILES for 6-oxo-N-propyl-1H-pyrazine-2-carboxamide is CCCNC(=O)c1cncc(=O)[nH]1.
What is the InChIKey of 6-oxo-N-propyl-1H-pyrazine-2-carboxamide?
The InChIKey is HHQKAZVPGPUQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-3-10-8(13)6-4-9-5-7(12)11-6/h4-5H,2-3H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 6-oxo-N-propyl-1H-pyrazine-2-carboxamide?
6-oxo-N-propyl-1H-pyrazine-2-carboxamide has a molecular weight of 181.20 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-propyl-1H-pyrazine-2-carboxamide is sourced from PubChem (CID 173000031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).