3-(3,3,3-trifluoropropylamino)pyrazine-2-carbonitrile

C8H7F3N4 — CID 63226632

IUPAC3-(3,3,3-trifluoropropylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCC(F)(F)F
InChIInChI=1S/C8H7F3N4/c9-8(10,11)1-2-14-7-6(5-12)13-3-4-15-7/h3-4H,1-2H2,(H,14,15)
InChIKeyPWZRDHGRASMPKF-UHFFFAOYSA-N
MW216.17 g/mol
LogP1.71
Rot. Bonds3

About 3-(3,3,3-trifluoropropylamino)pyrazine-2-carbonitrile

3-(3,3,3-trifluoropropylamino)pyrazine-2-carbonitrile (PubChem CID 63226632) has the molecular formula C8H7F3N4 and a molecular weight of 216.17 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropylamino)pyrazine-2-carbonitrile
PubChem CID63226632
Molecular FormulaC8H7F3N4
Molecular Weight216.17 g/mol
Exact Mass216.06
IUPAC Name3-(3,3,3-trifluoropropylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCC(F)(F)F
InChIInChI=1S/C8H7F3N4/c9-8(10,11)1-2-14-7-6(5-12)13-3-4-15-7/h3-4H,1-2H2,(H,14,15)
InChIKeyPWZRDHGRASMPKF-UHFFFAOYSA-N
XLogP1.71
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,3,3-trifluoropropylamino)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

Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropylamino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(3,3,3-trifluoropropylamino)pyrazine-2-carbonitrile (CID 63226632) is 3-(3,3,3-trifluoropropylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(3,3,3-trifluoropropylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(3,3,3-trifluoropropylamino)pyrazine-2-carbonitrile is N#Cc1nccnc1NCCC(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoropropylamino)pyrazine-2-carbonitrile?
The InChIKey is PWZRDHGRASMPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4/c9-8(10,11)1-2-14-7-6(5-12)13-3-4-15-7/h3-4H,1-2H2,(H,14,15).
What are the key properties of 3-(3,3,3-trifluoropropylamino)pyrazine-2-carbonitrile?
3-(3,3,3-trifluoropropylamino)pyrazine-2-carbonitrile has a molecular weight of 216.17 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 63226632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).