2,3-dimethyl-5,6-bis(prop-1-ynyl)pyrazine

C12H12N2 — CID 54505597

IUPAC2,3-dimethyl-5,6-bis(prop-1-ynyl)pyrazine
SMILESCC#Cc1nc(C)c(C)nc1C#CC
InChIInChI=1S/C12H12N2/c1-5-7-11-12(8-6-2)14-10(4)9(3)13-11/h1-4H3
InChIKeyYFLHHNHJMXLODT-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.84
Rot. Bonds

About 2,3-dimethyl-5,6-bis(prop-1-ynyl)pyrazine

2,3-dimethyl-5,6-bis(prop-1-ynyl)pyrazine (PubChem CID 54505597) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2,3-dimethyl-5,6-bis(prop-1-ynyl)pyrazine.

Molecular Properties

Compound Name2,3-dimethyl-5,6-bis(prop-1-ynyl)pyrazine
PubChem CID54505597
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name2,3-dimethyl-5,6-bis(prop-1-ynyl)pyrazine
SMILESCC#Cc1nc(C)c(C)nc1C#CC
InChIInChI=1S/C12H12N2/c1-5-7-11-12(8-6-2)14-10(4)9(3)13-11/h1-4H3
InChIKeyYFLHHNHJMXLODT-UHFFFAOYSA-N
XLogP1.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.84
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 2,3-dimethyl-5,6-bis(prop-1-ynyl)pyrazine?
The IUPAC name of 2,3-dimethyl-5,6-bis(prop-1-ynyl)pyrazine (CID 54505597) is 2,3-dimethyl-5,6-bis(prop-1-ynyl)pyrazine.
What is the SMILES notation for 2,3-dimethyl-5,6-bis(prop-1-ynyl)pyrazine?
The canonical SMILES for 2,3-dimethyl-5,6-bis(prop-1-ynyl)pyrazine is CC#Cc1nc(C)c(C)nc1C#CC.
What is the InChIKey of 2,3-dimethyl-5,6-bis(prop-1-ynyl)pyrazine?
The InChIKey is YFLHHNHJMXLODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-5-7-11-12(8-6-2)14-10(4)9(3)13-11/h1-4H3.
What are the key properties of 2,3-dimethyl-5,6-bis(prop-1-ynyl)pyrazine?
2,3-dimethyl-5,6-bis(prop-1-ynyl)pyrazine has a molecular weight of 184.24 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5,6-bis(prop-1-ynyl)pyrazine is sourced from PubChem (CID 54505597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).