3-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide

C8H6F3N7O — CID 55560635

IUPAC3-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C8H6F3N7O/c9-8(10,11)6-16-7(18-17-6)15-5(19)3-4(12)14-2-1-13-3/h1-2H,(H2,12,14)(H2,15,16,17,18,19)
InChIKeyQJSXATVHNRQSNJ-UHFFFAOYSA-N
MW273.18 g/mol
LogP0.45
Rot. Bonds2

About 3-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide

3-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide (PubChem CID 55560635) has the molecular formula C8H6F3N7O and a molecular weight of 273.18 g/mol. Its IUPAC name is 3-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide
PubChem CID55560635
Molecular FormulaC8H6F3N7O
Molecular Weight273.18 g/mol
Exact Mass273.06
IUPAC Name3-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C8H6F3N7O/c9-8(10,11)6-16-7(18-17-6)15-5(19)3-4(12)14-2-1-13-3/h1-2H,(H2,12,14)(H2,15,16,17,18,19)
InChIKeyQJSXATVHNRQSNJ-UHFFFAOYSA-N
XLogP0.45
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide (CID 55560635) is 3-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 3-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide?
The InChIKey is QJSXATVHNRQSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N7O/c9-8(10,11)6-16-7(18-17-6)15-5(19)3-4(12)14-2-1-13-3/h1-2H,(H2,12,14)(H2,15,16,17,18,19).
What are the key properties of 3-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide?
3-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide has a molecular weight of 273.18 g/mol, XLogP of 0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 55560635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).