5-(2,2-difluoroethylamino)pyrazine-2-carbonitrile

C7H6F2N4 — CID 86767801

IUPAC5-(2,2-difluoroethylamino)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCC(F)F)cn1
InChIInChI=1S/C7H6F2N4/c8-6(9)3-13-7-4-11-5(1-10)2-12-7/h2,4,6H,3H2,(H,12,13)
InChIKeyLOLFCQMPYWFUEV-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.03
Rot. Bonds3

About 5-(2,2-difluoroethylamino)pyrazine-2-carbonitrile

5-(2,2-difluoroethylamino)pyrazine-2-carbonitrile (PubChem CID 86767801) has the molecular formula C7H6F2N4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 5-(2,2-difluoroethylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(2,2-difluoroethylamino)pyrazine-2-carbonitrile
PubChem CID86767801
Molecular FormulaC7H6F2N4
Molecular Weight184.15 g/mol
Exact Mass184.06
IUPAC Name5-(2,2-difluoroethylamino)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCC(F)F)cn1
InChIInChI=1S/C7H6F2N4/c8-6(9)3-13-7-4-11-5(1-10)2-12-7/h2,4,6H,3H2,(H,12,13)
InChIKeyLOLFCQMPYWFUEV-UHFFFAOYSA-N
XLogP1.03
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2,2-difluoroethylamino)pyrazine-2-carbonitrile 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-Aminopyrazine-2,6-dicarbonitrile
CID 13925295
3-Aminopyrazine-2-carbonitrile
CID 817699
6-(Cyclohexylamino)pyrazine-2-carbonitrile
CID 16108898
3-(Methylamino)pyrazine-2-carbonitrile
CID 821140
5-Aminopyrazine-2-carbonitrile
CID 13925294
N,3-Dimethylpyrazin-2-amine
CID 44327445
3-(Diethylamino)pyrazine-2,5-dicarbonitrile
CID 57391054
3-(Piperazin-1-yl)pyrazine-2-carbonitrile
CID 2760441
6-(Trifluoromethyl)pyrazin-2-amine
CID 13341114
5-(Trifluoromethyl)pyrazin-2-amine
CID 13341115
3-(Trifluoromethyl)pyrazin-2-amine
CID 25069463
N,6-dimethylpyrazin-2-amine
CID 55286460

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethylamino)pyrazine-2-carbonitrile?
The IUPAC name of 5-(2,2-difluoroethylamino)pyrazine-2-carbonitrile (CID 86767801) is 5-(2,2-difluoroethylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(2,2-difluoroethylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(2,2-difluoroethylamino)pyrazine-2-carbonitrile is N#Cc1cnc(NCC(F)F)cn1.
What is the InChIKey of 5-(2,2-difluoroethylamino)pyrazine-2-carbonitrile?
The InChIKey is LOLFCQMPYWFUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N4/c8-6(9)3-13-7-4-11-5(1-10)2-12-7/h2,4,6H,3H2,(H,12,13).
What are the key properties of 5-(2,2-difluoroethylamino)pyrazine-2-carbonitrile?
5-(2,2-difluoroethylamino)pyrazine-2-carbonitrile has a molecular weight of 184.15 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 86767801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).