2-hex-1-ynylpyrazine

C10H12N2 — CID 15505904

IUPAC2-hex-1-ynylpyrazine
SMILESCCCCC#Cc1cnccn1
InChIInChI=1S/C10H12N2/c1-2-3-4-5-6-10-9-11-7-8-12-10/h7-9H,2-4H2,1H3
InChIKeyKNPGKXSPSROHGK-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.02
Rot. Bonds2

About 2-hex-1-ynylpyrazine

2-hex-1-ynylpyrazine (PubChem CID 15505904) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-hex-1-ynylpyrazine.

Molecular Properties

Compound Name2-hex-1-ynylpyrazine
PubChem CID15505904
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-hex-1-ynylpyrazine
SMILESCCCCC#Cc1cnccn1
InChIInChI=1S/C10H12N2/c1-2-3-4-5-6-10-9-11-7-8-12-10/h7-9H,2-4H2,1H3
InChIKeyKNPGKXSPSROHGK-UHFFFAOYSA-N
XLogP2.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hex-1-ynylpyrazine?
The IUPAC name of 2-hex-1-ynylpyrazine (CID 15505904) is 2-hex-1-ynylpyrazine.
What is the SMILES notation for 2-hex-1-ynylpyrazine?
The canonical SMILES for 2-hex-1-ynylpyrazine is CCCCC#Cc1cnccn1.
What is the InChIKey of 2-hex-1-ynylpyrazine?
The InChIKey is KNPGKXSPSROHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-3-4-5-6-10-9-11-7-8-12-10/h7-9H,2-4H2,1H3.
What are the key properties of 2-hex-1-ynylpyrazine?
2-hex-1-ynylpyrazine has a molecular weight of 160.22 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-1-ynylpyrazine is sourced from PubChem (CID 15505904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).