5-ethynyl-1-methyl-6-[(Z)-prop-1-enyl]-2H-pyrazine

C10H12N2 — CID 89473279

IUPAC5-ethynyl-1-methyl-6-[(Z)-prop-1-enyl]-2H-pyrazine
SMILESC#CC1=C(/C=C\C)N(C)CC=N1
InChIInChI=1S/C10H12N2/c1-4-6-10-9(5-2)11-7-8-12(10)3/h2,4,6-7H,8H2,1,3H3/b6-4-
InChIKeyKSYWGLNKYQYEJA-XQRVVYSFSA-N
MW160.22 g/mol
LogP1.42
Rot. Bonds1

About 5-ethynyl-1-methyl-6-[(Z)-prop-1-enyl]-2H-pyrazine

5-ethynyl-1-methyl-6-[(Z)-prop-1-enyl]-2H-pyrazine (PubChem CID 89473279) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 5-ethynyl-1-methyl-6-[(Z)-prop-1-enyl]-2H-pyrazine.

Molecular Properties

Compound Name5-ethynyl-1-methyl-6-[(Z)-prop-1-enyl]-2H-pyrazine
PubChem CID89473279
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name5-ethynyl-1-methyl-6-[(Z)-prop-1-enyl]-2H-pyrazine
SMILESC#CC1=C(/C=C\C)N(C)CC=N1
InChIInChI=1S/C10H12N2/c1-4-6-10-9(5-2)11-7-8-12(10)3/h2,4,6-7H,8H2,1,3H3/b6-4-
InChIKeyKSYWGLNKYQYEJA-XQRVVYSFSA-N
XLogP1.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-1-methyl-6-[(Z)-prop-1-enyl]-2H-pyrazine?
The IUPAC name of 5-ethynyl-1-methyl-6-[(Z)-prop-1-enyl]-2H-pyrazine (CID 89473279) is 5-ethynyl-1-methyl-6-[(Z)-prop-1-enyl]-2H-pyrazine.
What is the SMILES notation for 5-ethynyl-1-methyl-6-[(Z)-prop-1-enyl]-2H-pyrazine?
The canonical SMILES for 5-ethynyl-1-methyl-6-[(Z)-prop-1-enyl]-2H-pyrazine is C#CC1=C(/C=C\C)N(C)CC=N1.
What is the InChIKey of 5-ethynyl-1-methyl-6-[(Z)-prop-1-enyl]-2H-pyrazine?
The InChIKey is KSYWGLNKYQYEJA-XQRVVYSFSA-N. The full InChI is InChI=1S/C10H12N2/c1-4-6-10-9(5-2)11-7-8-12(10)3/h2,4,6-7H,8H2,1,3H3/b6-4-.
What are the key properties of 5-ethynyl-1-methyl-6-[(Z)-prop-1-enyl]-2H-pyrazine?
5-ethynyl-1-methyl-6-[(Z)-prop-1-enyl]-2H-pyrazine has a molecular weight of 160.22 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-1-methyl-6-[(Z)-prop-1-enyl]-2H-pyrazine is sourced from PubChem (CID 89473279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).