6-(butylamino)pyrazine-2-carboxamide

C9H14N4O — CID 69291756

IUPAC6-(butylamino)pyrazine-2-carboxamide
SMILESCCCCNc1cncc(C(N)=O)n1
InChIInChI=1S/C9H14N4O/c1-2-3-4-12-8-6-11-5-7(13-8)9(10)14/h5-6H,2-4H2,1H3,(H2,10,14)(H,12,13)
InChIKeyVUUFCHLZEDSNOP-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.79
Rot. Bonds5

About 6-(butylamino)pyrazine-2-carboxamide

6-(butylamino)pyrazine-2-carboxamide (PubChem CID 69291756) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 6-(butylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(butylamino)pyrazine-2-carboxamide
PubChem CID69291756
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name6-(butylamino)pyrazine-2-carboxamide
SMILESCCCCNc1cncc(C(N)=O)n1
InChIInChI=1S/C9H14N4O/c1-2-3-4-12-8-6-11-5-7(13-8)9(10)14/h5-6H,2-4H2,1H3,(H2,10,14)(H,12,13)
InChIKeyVUUFCHLZEDSNOP-UHFFFAOYSA-N
XLogP0.79
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-(butylamino)pyrazine-2-carboxamide (CID 69291756) is 6-(butylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-(butylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-(butylamino)pyrazine-2-carboxamide is CCCCNc1cncc(C(N)=O)n1.
What is the InChIKey of 6-(butylamino)pyrazine-2-carboxamide?
The InChIKey is VUUFCHLZEDSNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-2-3-4-12-8-6-11-5-7(13-8)9(10)14/h5-6H,2-4H2,1H3,(H2,10,14)(H,12,13).
What are the key properties of 6-(butylamino)pyrazine-2-carboxamide?
6-(butylamino)pyrazine-2-carboxamide has a molecular weight of 194.24 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 69291756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).