N-pyrazin-2-yl-3-(trifluoromethyl)benzamide

C12H8F3N3O — CID 1246771

IUPACN-pyrazin-2-yl-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cnccn1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H8F3N3O/c13-12(14,15)9-3-1-2-8(6-9)11(19)18-10-7-16-4-5-17-10/h1-7H,(H,17,18,19)
InChIKeyCBGLRDVMEYIPGP-UHFFFAOYSA-N
MW267.21 g/mol
LogP2.75
Rot. Bonds2

About N-pyrazin-2-yl-3-(trifluoromethyl)benzamide

N-pyrazin-2-yl-3-(trifluoromethyl)benzamide (PubChem CID 1246771) has the molecular formula C12H8F3N3O and a molecular weight of 267.21 g/mol. Its IUPAC name is N-pyrazin-2-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-pyrazin-2-yl-3-(trifluoromethyl)benzamide
PubChem CID1246771
Molecular FormulaC12H8F3N3O
Molecular Weight267.21 g/mol
Exact Mass267.06
IUPAC NameN-pyrazin-2-yl-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cnccn1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H8F3N3O/c13-12(14,15)9-3-1-2-8(6-9)11(19)18-10-7-16-4-5-17-10/h1-7H,(H,17,18,19)
InChIKeyCBGLRDVMEYIPGP-UHFFFAOYSA-N
XLogP2.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-pyrazin-2-yl-3-(trifluoromethyl)benzamide 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 N-pyrazin-2-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-pyrazin-2-yl-3-(trifluoromethyl)benzamide (CID 1246771) is N-pyrazin-2-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-pyrazin-2-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-pyrazin-2-yl-3-(trifluoromethyl)benzamide is O=C(Nc1cnccn1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-pyrazin-2-yl-3-(trifluoromethyl)benzamide?
The InChIKey is CBGLRDVMEYIPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O/c13-12(14,15)9-3-1-2-8(6-9)11(19)18-10-7-16-4-5-17-10/h1-7H,(H,17,18,19).
What are the key properties of N-pyrazin-2-yl-3-(trifluoromethyl)benzamide?
N-pyrazin-2-yl-3-(trifluoromethyl)benzamide has a molecular weight of 267.21 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazin-2-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 1246771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).