5-(butylamino)pyrazine-2-carboxamide

C9H14N4O — CID 73212508

IUPAC5-(butylamino)pyrazine-2-carboxamide
SMILESCCCCNc1cnc(C(N)=O)cn1
InChIInChI=1S/C9H14N4O/c1-2-3-4-11-8-6-12-7(5-13-8)9(10)14/h5-6H,2-4H2,1H3,(H2,10,14)(H,11,13)
InChIKeyIZNITAIGDPLDGV-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.79
Rot. Bonds5

About 5-(butylamino)pyrazine-2-carboxamide

5-(butylamino)pyrazine-2-carboxamide (PubChem CID 73212508) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 5-(butylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(butylamino)pyrazine-2-carboxamide
PubChem CID73212508
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name5-(butylamino)pyrazine-2-carboxamide
SMILESCCCCNc1cnc(C(N)=O)cn1
InChIInChI=1S/C9H14N4O/c1-2-3-4-11-8-6-12-7(5-13-8)9(10)14/h5-6H,2-4H2,1H3,(H2,10,14)(H,11,13)
InChIKeyIZNITAIGDPLDGV-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 5-(butylamino)pyrazine-2-carboxamide?
The IUPAC name of 5-(butylamino)pyrazine-2-carboxamide (CID 73212508) is 5-(butylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(butylamino)pyrazine-2-carboxamide?
The canonical SMILES for 5-(butylamino)pyrazine-2-carboxamide is CCCCNc1cnc(C(N)=O)cn1.
What is the InChIKey of 5-(butylamino)pyrazine-2-carboxamide?
The InChIKey is IZNITAIGDPLDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-2-3-4-11-8-6-12-7(5-13-8)9(10)14/h5-6H,2-4H2,1H3,(H2,10,14)(H,11,13).
What are the key properties of 5-(butylamino)pyrazine-2-carboxamide?
5-(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 5-(butylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 73212508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).