5-chloro-6-methylpyrazine-2,3-dicarbonitrile

C7H3ClN4 — CID 12907198

IUPAC5-chloro-6-methylpyrazine-2,3-dicarbonitrile
SMILESCc1nc(C#N)c(C#N)nc1Cl
InChIInChI=1S/C7H3ClN4/c1-4-7(8)12-6(3-10)5(2-9)11-4/h1H3
InChIKeyFMSRCHYXAOIQFU-UHFFFAOYSA-N
MW178.58 g/mol
LogP1.18
Rot. Bonds

About 5-chloro-6-methylpyrazine-2,3-dicarbonitrile

5-chloro-6-methylpyrazine-2,3-dicarbonitrile (PubChem CID 12907198) has the molecular formula C7H3ClN4 and a molecular weight of 178.58 g/mol. Its IUPAC name is 5-chloro-6-methylpyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-chloro-6-methylpyrazine-2,3-dicarbonitrile
PubChem CID12907198
Molecular FormulaC7H3ClN4
Molecular Weight178.58 g/mol
Exact Mass178.00
IUPAC Name5-chloro-6-methylpyrazine-2,3-dicarbonitrile
SMILESCc1nc(C#N)c(C#N)nc1Cl
InChIInChI=1S/C7H3ClN4/c1-4-7(8)12-6(3-10)5(2-9)11-4/h1H3
InChIKeyFMSRCHYXAOIQFU-UHFFFAOYSA-N
XLogP1.18
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.58
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-6-methylpyrazine-2,3-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-Dimethyl-2,3-pyrazinedicarbonitrile
CID 299559
5,6-Dichloro-2,3-dicyanopyrazine
CID 607820
2-Chloro-3,5,6-trimethylpyrazine
CID 12600392
2,5-Dichloro-3,6-dimethylpyrazine
CID 10877681
3-Chloro-5,6-dimethylpyrazine-2-carbonitrile
CID 292147
2-(3-Chloro-5,6-dicyano-2-pyrazinyl)malononitrile
CID 129784218
Cccwzrvildjmpf-uhfffaoysa-
CID 21586359
5-Chloro-6-propan-2-ylpyrazine-2,3-dicarbonitrile
CID 86170280
2,6-Dichloro-3,5-dimethylpyrazine
CID 10487521
5-Chloro-6-ethylpyrazine-2,3-dicarbonitrile
CID 12907199
3,5-Dimethylpyrazine-2,6-dicarbonitrile
CID 20266148
2,3,5-Trichloro-6-methylpyrazine
CID 57775499

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methylpyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-chloro-6-methylpyrazine-2,3-dicarbonitrile (CID 12907198) is 5-chloro-6-methylpyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-chloro-6-methylpyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-chloro-6-methylpyrazine-2,3-dicarbonitrile is Cc1nc(C#N)c(C#N)nc1Cl.
What is the InChIKey of 5-chloro-6-methylpyrazine-2,3-dicarbonitrile?
The InChIKey is FMSRCHYXAOIQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN4/c1-4-7(8)12-6(3-10)5(2-9)11-4/h1H3.
What are the key properties of 5-chloro-6-methylpyrazine-2,3-dicarbonitrile?
5-chloro-6-methylpyrazine-2,3-dicarbonitrile has a molecular weight of 178.58 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methylpyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 12907198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).