6-amino-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide

C9H9F3N4O — CID 114159661

IUPAC6-amino-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide
SMILESNc1cncc(C(=O)NC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)8(1-2-8)16-7(17)5-3-14-4-6(13)15-5/h3-4H,1-2H2,(H2,13,15)(H,16,17)
InChIKeyHMFAGWZTHGYQAK-UHFFFAOYSA-N
MW246.19 g/mol
LogP0.88
Rot. Bonds2

About 6-amino-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide

6-amino-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide (PubChem CID 114159661) has the molecular formula C9H9F3N4O and a molecular weight of 246.19 g/mol. Its IUPAC name is 6-amino-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide
PubChem CID114159661
Molecular FormulaC9H9F3N4O
Molecular Weight246.19 g/mol
Exact Mass246.07
IUPAC Name6-amino-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide
SMILESNc1cncc(C(=O)NC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)8(1-2-8)16-7(17)5-3-14-4-6(13)15-5/h3-4H,1-2H2,(H2,13,15)(H,16,17)
InChIKeyHMFAGWZTHGYQAK-UHFFFAOYSA-N
XLogP0.88
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide?
The IUPAC name of 6-amino-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide (CID 114159661) is 6-amino-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-amino-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-amino-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide is Nc1cncc(C(=O)NC2(C(F)(F)F)CC2)n1.
What is the InChIKey of 6-amino-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide?
The InChIKey is HMFAGWZTHGYQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O/c10-9(11,12)8(1-2-8)16-7(17)5-3-14-4-6(13)15-5/h3-4H,1-2H2,(H2,13,15)(H,16,17).
What are the key properties of 6-amino-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide?
6-amino-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide has a molecular weight of 246.19 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide is sourced from PubChem (CID 114159661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).