5-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide

C9H7ClF3N3O — CID 86675756

IUPAC5-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1cnc(Cl)cn1
InChIInChI=1S/C9H7ClF3N3O/c10-6-4-14-5(3-15-6)7(17)16-8(1-2-8)9(11,12)13/h3-4H,1-2H2,(H,16,17)
InChIKeyGHCTWRBLLGUCSE-UHFFFAOYSA-N
MW265.62 g/mol
LogP1.95
Rot. Bonds2

About 5-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide

5-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide (PubChem CID 86675756) has the molecular formula C9H7ClF3N3O and a molecular weight of 265.62 g/mol. Its IUPAC name is 5-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide
PubChem CID86675756
Molecular FormulaC9H7ClF3N3O
Molecular Weight265.62 g/mol
Exact Mass265.02
IUPAC Name5-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1cnc(Cl)cn1
InChIInChI=1S/C9H7ClF3N3O/c10-6-4-14-5(3-15-6)7(17)16-8(1-2-8)9(11,12)13/h3-4H,1-2H2,(H,16,17)
InChIKeyGHCTWRBLLGUCSE-UHFFFAOYSA-N
XLogP1.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.62
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide (CID 86675756) is 5-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide is O=C(NC1(C(F)(F)F)CC1)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide?
The InChIKey is GHCTWRBLLGUCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N3O/c10-6-4-14-5(3-15-6)7(17)16-8(1-2-8)9(11,12)13/h3-4H,1-2H2,(H,16,17).
What are the key properties of 5-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide?
5-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide has a molecular weight of 265.62 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide is sourced from PubChem (CID 86675756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).