6-(2-methylprop-2-enylamino)pyrazine-2-carboxamide

C9H12N4O — CID 131041383

IUPAC6-(2-methylprop-2-enylamino)pyrazine-2-carboxamide
SMILESC=C(C)CNc1cncc(C(N)=O)n1
InChIInChI=1S/C9H12N4O/c1-6(2)3-12-8-5-11-4-7(13-8)9(10)14/h4-5H,1,3H2,2H3,(H2,10,14)(H,12,13)
InChIKeyJGPNKBXHJDDMEU-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.56
Rot. Bonds4

About 6-(2-methylprop-2-enylamino)pyrazine-2-carboxamide

6-(2-methylprop-2-enylamino)pyrazine-2-carboxamide (PubChem CID 131041383) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-(2-methylprop-2-enylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(2-methylprop-2-enylamino)pyrazine-2-carboxamide
PubChem CID131041383
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name6-(2-methylprop-2-enylamino)pyrazine-2-carboxamide
SMILESC=C(C)CNc1cncc(C(N)=O)n1
InChIInChI=1S/C9H12N4O/c1-6(2)3-12-8-5-11-4-7(13-8)9(10)14/h4-5H,1,3H2,2H3,(H2,10,14)(H,12,13)
InChIKeyJGPNKBXHJDDMEU-UHFFFAOYSA-N
XLogP0.56
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylprop-2-enylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-(2-methylprop-2-enylamino)pyrazine-2-carboxamide (CID 131041383) is 6-(2-methylprop-2-enylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-(2-methylprop-2-enylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-(2-methylprop-2-enylamino)pyrazine-2-carboxamide is C=C(C)CNc1cncc(C(N)=O)n1.
What is the InChIKey of 6-(2-methylprop-2-enylamino)pyrazine-2-carboxamide?
The InChIKey is JGPNKBXHJDDMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-6(2)3-12-8-5-11-4-7(13-8)9(10)14/h4-5H,1,3H2,2H3,(H2,10,14)(H,12,13).
What are the key properties of 6-(2-methylprop-2-enylamino)pyrazine-2-carboxamide?
6-(2-methylprop-2-enylamino)pyrazine-2-carboxamide has a molecular weight of 192.22 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylprop-2-enylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 131041383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).