2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

C9H6BrF3N6O — CID 103099018

IUPAC2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1-n1nc(N)nc1Br
InChIInChI=1S/C9H6BrF3N6O/c10-7-17-8(15)18-19(7)6-3(5(14)20)1-2-4(16-6)9(11,12)13/h1-2H,(H2,14,20)(H2,15,18)
InChIKeyZFIGCVYHPUJBJW-UHFFFAOYSA-N
MW351.09 g/mol
LogP1.12
Rot. Bonds2

About 2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 103099018) has the molecular formula C9H6BrF3N6O and a molecular weight of 351.09 g/mol. Its IUPAC name is 2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID103099018
Molecular FormulaC9H6BrF3N6O
Molecular Weight351.09 g/mol
Exact Mass349.97
IUPAC Name2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1-n1nc(N)nc1Br
InChIInChI=1S/C9H6BrF3N6O/c10-7-17-8(15)18-19(7)6-3(5(14)20)1-2-4(16-6)9(11,12)13/h1-2H,(H2,14,20)(H2,15,18)
InChIKeyZFIGCVYHPUJBJW-UHFFFAOYSA-N
XLogP1.12
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.09
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 50878544
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79874137
2-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875911
4-(3-amino-5-bromo-1,2,4-triazol-1-yl)benzamide
CID 103099107
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875890
2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79874724
2-(3-amino-4-methylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 103577515
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877181
2-(3,5-dimethylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79876845
2-(3-oxo-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875826
2-(2,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875880
2-[3-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875720

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 103099018) is 2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1ccc(C(F)(F)F)nc1-n1nc(N)nc1Br.
What is the InChIKey of 2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ZFIGCVYHPUJBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3N6O/c10-7-17-8(15)18-19(7)6-3(5(14)20)1-2-4(16-6)9(11,12)13/h1-2H,(H2,14,20)(H2,15,18).
What are the key properties of 2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 351.09 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 103099018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).