5-(trifluoromethyl)pyrazine-2,3-dicarbonitrile

C7HF3N4 — CID 10987216

IUPAC5-(trifluoromethyl)pyrazine-2,3-dicarbonitrile
SMILESN#Cc1ncc(C(F)(F)F)nc1C#N
InChIInChI=1S/C7HF3N4/c8-7(9,10)6-3-13-4(1-11)5(2-12)14-6/h3H
InChIKeyNHAWXXDVCKKLID-UHFFFAOYSA-N
MW198.11 g/mol
LogP1.24
Rot. Bonds

About 5-(trifluoromethyl)pyrazine-2,3-dicarbonitrile

5-(trifluoromethyl)pyrazine-2,3-dicarbonitrile (PubChem CID 10987216) has the molecular formula C7HF3N4 and a molecular weight of 198.11 g/mol. Its IUPAC name is 5-(trifluoromethyl)pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-(trifluoromethyl)pyrazine-2,3-dicarbonitrile
PubChem CID10987216
Molecular FormulaC7HF3N4
Molecular Weight198.11 g/mol
Exact Mass198.02
IUPAC Name5-(trifluoromethyl)pyrazine-2,3-dicarbonitrile
SMILESN#Cc1ncc(C(F)(F)F)nc1C#N
InChIInChI=1S/C7HF3N4/c8-7(9,10)6-3-13-4(1-11)5(2-12)14-6/h3H
InChIKeyNHAWXXDVCKKLID-UHFFFAOYSA-N
XLogP1.24
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.11
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(trifluoromethyl)pyrazine-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

3-pyridin-2-yl-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 118507248
3-hydroxy-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 130866916
3-(difluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 118704023
3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 130108890
[6-cyano-5-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 75485847
3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 134674727
5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 130077417
3-bromo-2-chloro-5-(trifluoromethyl)pyrazine
CID 130116239
3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 119011943
ethane;5-propan-2-yl-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 177335328
3-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 119004811
5-amino-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 130103522

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)pyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-(trifluoromethyl)pyrazine-2,3-dicarbonitrile (CID 10987216) is 5-(trifluoromethyl)pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-(trifluoromethyl)pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-(trifluoromethyl)pyrazine-2,3-dicarbonitrile is N#Cc1ncc(C(F)(F)F)nc1C#N.
What is the InChIKey of 5-(trifluoromethyl)pyrazine-2,3-dicarbonitrile?
The InChIKey is NHAWXXDVCKKLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF3N4/c8-7(9,10)6-3-13-4(1-11)5(2-12)14-6/h3H.
What are the key properties of 5-(trifluoromethyl)pyrazine-2,3-dicarbonitrile?
5-(trifluoromethyl)pyrazine-2,3-dicarbonitrile has a molecular weight of 198.11 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 10987216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).