5-hept-1-enylpyrazin-2-amine

C11H17N3 — CID 123633071

IUPAC5-hept-1-enylpyrazin-2-amine
SMILESCCCCCC=Cc1cnc(N)cn1
InChIInChI=1S/C11H17N3/c1-2-3-4-5-6-7-10-8-14-11(12)9-13-10/h6-9H,2-5H2,1H3,(H2,12,14)
InChIKeyMMPQVIYQDDQPMG-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.65
Rot. Bonds5

About 5-hept-1-enylpyrazin-2-amine

5-hept-1-enylpyrazin-2-amine (PubChem CID 123633071) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 5-hept-1-enylpyrazin-2-amine.

Molecular Properties

Compound Name5-hept-1-enylpyrazin-2-amine
PubChem CID123633071
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name5-hept-1-enylpyrazin-2-amine
SMILESCCCCCC=Cc1cnc(N)cn1
InChIInChI=1S/C11H17N3/c1-2-3-4-5-6-7-10-8-14-11(12)9-13-10/h6-9H,2-5H2,1H3,(H2,12,14)
InChIKeyMMPQVIYQDDQPMG-UHFFFAOYSA-N
XLogP2.65
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.65
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 5-hept-1-enylpyrazin-2-amine?
The IUPAC name of 5-hept-1-enylpyrazin-2-amine (CID 123633071) is 5-hept-1-enylpyrazin-2-amine.
What is the SMILES notation for 5-hept-1-enylpyrazin-2-amine?
The canonical SMILES for 5-hept-1-enylpyrazin-2-amine is CCCCCC=Cc1cnc(N)cn1.
What is the InChIKey of 5-hept-1-enylpyrazin-2-amine?
The InChIKey is MMPQVIYQDDQPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-3-4-5-6-7-10-8-14-11(12)9-13-10/h6-9H,2-5H2,1H3,(H2,12,14).
What are the key properties of 5-hept-1-enylpyrazin-2-amine?
5-hept-1-enylpyrazin-2-amine has a molecular weight of 191.28 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hept-1-enylpyrazin-2-amine is sourced from PubChem (CID 123633071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).