5-[2-(5-methylpyrazin-2-yl)ethynyl]pyrazine-2-carbonitrile

C12H7N5 — CID 135303516

IUPAC5-[2-(5-methylpyrazin-2-yl)ethynyl]pyrazine-2-carbonitrile
SMILESCc1cnc(C#Cc2cnc(C#N)cn2)cn1
InChIInChI=1S/C12H7N5/c1-9-5-15-10(6-14-9)2-3-11-7-17-12(4-13)8-16-11/h5-8H,1H3
InChIKeyDGWJDEQKEIAHSK-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.85
Rot. Bonds

About 5-[2-(5-methylpyrazin-2-yl)ethynyl]pyrazine-2-carbonitrile

5-[2-(5-methylpyrazin-2-yl)ethynyl]pyrazine-2-carbonitrile (PubChem CID 135303516) has the molecular formula C12H7N5 and a molecular weight of 221.22 g/mol. Its IUPAC name is 5-[2-(5-methylpyrazin-2-yl)ethynyl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(5-methylpyrazin-2-yl)ethynyl]pyrazine-2-carbonitrile
PubChem CID135303516
Molecular FormulaC12H7N5
Molecular Weight221.22 g/mol
Exact Mass221.07
IUPAC Name5-[2-(5-methylpyrazin-2-yl)ethynyl]pyrazine-2-carbonitrile
SMILESCc1cnc(C#Cc2cnc(C#N)cn2)cn1
InChIInChI=1S/C12H7N5/c1-9-5-15-10(6-14-9)2-3-11-7-17-12(4-13)8-16-11/h5-8H,1H3
InChIKeyDGWJDEQKEIAHSK-UHFFFAOYSA-N
XLogP0.85
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2-(5-methylpyrazin-2-yl)ethynyl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[2-(5-methylpyrazin-2-yl)ethynyl]pyrazine-2-carbonitrile (CID 135303516) is 5-[2-(5-methylpyrazin-2-yl)ethynyl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[2-(5-methylpyrazin-2-yl)ethynyl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[2-(5-methylpyrazin-2-yl)ethynyl]pyrazine-2-carbonitrile is Cc1cnc(C#Cc2cnc(C#N)cn2)cn1.
What is the InChIKey of 5-[2-(5-methylpyrazin-2-yl)ethynyl]pyrazine-2-carbonitrile?
The InChIKey is DGWJDEQKEIAHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N5/c1-9-5-15-10(6-14-9)2-3-11-7-17-12(4-13)8-16-11/h5-8H,1H3.
What are the key properties of 5-[2-(5-methylpyrazin-2-yl)ethynyl]pyrazine-2-carbonitrile?
5-[2-(5-methylpyrazin-2-yl)ethynyl]pyrazine-2-carbonitrile has a molecular weight of 221.22 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-methylpyrazin-2-yl)ethynyl]pyrazine-2-carbonitrile is sourced from PubChem (CID 135303516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).