6-oxo-N-prop-2-ynyl-1H-pyrazine-3-carboxamide

C8H7N3O2 — CID 60770819

IUPAC6-oxo-N-prop-2-ynyl-1H-pyrazine-3-carboxamide
SMILESC#CCNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C8H7N3O2/c1-2-3-9-8(13)6-4-11-7(12)5-10-6/h1,4-5H,3H2,(H,9,13)(H,11,12)
InChIKeyJCSSLPRPXOXNGM-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.87
Rot. Bonds2

About 6-oxo-N-prop-2-ynyl-1H-pyrazine-3-carboxamide

6-oxo-N-prop-2-ynyl-1H-pyrazine-3-carboxamide (PubChem CID 60770819) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 6-oxo-N-prop-2-ynyl-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-prop-2-ynyl-1H-pyrazine-3-carboxamide
PubChem CID60770819
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name6-oxo-N-prop-2-ynyl-1H-pyrazine-3-carboxamide
SMILESC#CCNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C8H7N3O2/c1-2-3-9-8(13)6-4-11-7(12)5-10-6/h1,4-5H,3H2,(H,9,13)(H,11,12)
InChIKeyJCSSLPRPXOXNGM-UHFFFAOYSA-N
XLogP-0.87
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-Dihydro-5-oxo-2-pyrazinecarboxamide
CID 151823
6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrazine-3-carboxamide
CID 112527697
6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyrazine-3-carboxamide
CID 112527762
6-Hydroxypyrazine-2-carboxamide
CID 55291347
N-(2-methylpropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 90081940
6-oxo-N-propyl-1H-pyrazine-3-carboxamide
CID 108474666
N-(2,2-dimethylpropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 118264842
N-ethyl-1,2-dihydropyrazine-5-carboxamide
CID 122522531
ethane;N-ethyl-1,2-dihydropyrazine-5-carboxamide
CID 167447575
N-methyl-6-oxo-1H-pyrazine-2-carboxamide
CID 170673121
N-butyl-6-oxo-1H-pyrazine-2-carboxamide
CID 172999720
6-oxo-N-propan-2-yl-1H-pyrazine-2-carboxamide
CID 172999875

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-prop-2-ynyl-1H-pyrazine-3-carboxamide?
The IUPAC name of 6-oxo-N-prop-2-ynyl-1H-pyrazine-3-carboxamide (CID 60770819) is 6-oxo-N-prop-2-ynyl-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-prop-2-ynyl-1H-pyrazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-prop-2-ynyl-1H-pyrazine-3-carboxamide is C#CCNC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 6-oxo-N-prop-2-ynyl-1H-pyrazine-3-carboxamide?
The InChIKey is JCSSLPRPXOXNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-2-3-9-8(13)6-4-11-7(12)5-10-6/h1,4-5H,3H2,(H,9,13)(H,11,12).
What are the key properties of 6-oxo-N-prop-2-ynyl-1H-pyrazine-3-carboxamide?
6-oxo-N-prop-2-ynyl-1H-pyrazine-3-carboxamide has a molecular weight of 177.16 g/mol, XLogP of -0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-prop-2-ynyl-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 60770819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).