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

C9H7F3N6O — CID 43051678

IUPAC5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)cn1
InChIInChI=1S/C9H7F3N6O/c1-4-2-14-5(3-13-4)6(19)15-8-16-7(17-18-8)9(10,11)12/h2-3H,1H3,(H2,15,16,17,18,19)
InChIKeyIHEHMKYVDPOFSS-UHFFFAOYSA-N
MW272.19 g/mol
LogP1.17
Rot. Bonds2

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

5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide (PubChem CID 43051678) has the molecular formula C9H7F3N6O and a molecular weight of 272.19 g/mol. Its IUPAC name is 5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide
PubChem CID43051678
Molecular FormulaC9H7F3N6O
Molecular Weight272.19 g/mol
Exact Mass272.06
IUPAC Name5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)cn1
InChIInChI=1S/C9H7F3N6O/c1-4-2-14-5(3-13-4)6(19)15-8-16-7(17-18-8)9(10,11)12/h2-3H,1H3,(H2,15,16,17,18,19)
InChIKeyIHEHMKYVDPOFSS-UHFFFAOYSA-N
XLogP1.17
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide (CID 43051678) is 5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)cn1.
What is the InChIKey of 5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide?
The InChIKey is IHEHMKYVDPOFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N6O/c1-4-2-14-5(3-13-4)6(19)15-8-16-7(17-18-8)9(10,11)12/h2-3H,1H3,(H2,15,16,17,18,19).
What are the key properties of 5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide?
5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide has a molecular weight of 272.19 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 43051678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).