4-pyrazin-2-ylbutan-1-amine

C8H13N3 — CID 15035006

IUPAC4-pyrazin-2-ylbutan-1-amine
SMILESNCCCCc1cnccn1
InChIInChI=1S/C8H13N3/c9-4-2-1-3-8-7-10-5-6-11-8/h5-7H,1-4,9H2
InChIKeyIUNORDCTXLFGSZ-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.76
Rot. Bonds4

About 4-pyrazin-2-ylbutan-1-amine

4-pyrazin-2-ylbutan-1-amine (PubChem CID 15035006) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-pyrazin-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-pyrazin-2-ylbutan-1-amine
PubChem CID15035006
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name4-pyrazin-2-ylbutan-1-amine
SMILESNCCCCc1cnccn1
InChIInChI=1S/C8H13N3/c9-4-2-1-3-8-7-10-5-6-11-8/h5-7H,1-4,9H2
InChIKeyIUNORDCTXLFGSZ-UHFFFAOYSA-N
XLogP0.76
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-pyrazin-2-ylbutan-1-amine?
The IUPAC name of 4-pyrazin-2-ylbutan-1-amine (CID 15035006) is 4-pyrazin-2-ylbutan-1-amine.
What is the SMILES notation for 4-pyrazin-2-ylbutan-1-amine?
The canonical SMILES for 4-pyrazin-2-ylbutan-1-amine is NCCCCc1cnccn1.
What is the InChIKey of 4-pyrazin-2-ylbutan-1-amine?
The InChIKey is IUNORDCTXLFGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c9-4-2-1-3-8-7-10-5-6-11-8/h5-7H,1-4,9H2.
What are the key properties of 4-pyrazin-2-ylbutan-1-amine?
4-pyrazin-2-ylbutan-1-amine has a molecular weight of 151.21 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazin-2-ylbutan-1-amine is sourced from PubChem (CID 15035006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).