2-amino-6-bromo-N-(1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

C11H11BrF3N5O — CID 155231987

IUPAC2-amino-6-bromo-N-(1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCCC(NC(=O)c1cc(Br)cn2nc(N)nc12)C(F)(F)F
InChIInChI=1S/C11H11BrF3N5O/c1-2-7(11(13,14)15)17-9(21)6-3-5(12)4-20-8(6)18-10(16)19-20/h3-4,7H,2H2,1H3,(H2,16,19)(H,17,21)
InChIKeyCBDNVWQNLHDXJX-UHFFFAOYSA-N
MW366.14 g/mol
LogP2.14
Rot. Bonds3

About 2-amino-6-bromo-N-(1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

2-amino-6-bromo-N-(1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 155231987) has the molecular formula C11H11BrF3N5O and a molecular weight of 366.14 g/mol. Its IUPAC name is 2-amino-6-bromo-N-(1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name2-amino-6-bromo-N-(1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
PubChem CID155231987
Molecular FormulaC11H11BrF3N5O
Molecular Weight366.14 g/mol
Exact Mass365.01
IUPAC Name2-amino-6-bromo-N-(1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCCC(NC(=O)c1cc(Br)cn2nc(N)nc12)C(F)(F)F
InChIInChI=1S/C11H11BrF3N5O/c1-2-7(11(13,14)15)17-9(21)6-3-5(12)4-20-8(6)18-10(16)19-20/h3-4,7H,2H2,1H3,(H2,16,19)(H,17,21)
InChIKeyCBDNVWQNLHDXJX-UHFFFAOYSA-N
XLogP2.14
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.14
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-bromo-N-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 155213571
2-amino-N-butan-2-yl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 155232382
tert-butyl 3-[4-[2-amino-8-[[(2S)-butan-2-yl]carbamoyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]azetidine-1-carboxylate
CID 167418800
2-amino-N-butan-2-yl-6-[1-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 155232034
6-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-2-amino-N-butan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 155232148
2-amino-N-[(2S)-butan-2-yl]-6-[5-[[(1S)-1-(4-fluorophenyl)propyl]carbamoyl]thiophen-3-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 163255797
2-amino-6-[(3E)-penta-1,3-dien-3-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 155713907
N-(1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 155213546
2-amino-N-[(2S)-butan-2-yl]-6-[1-[1-[6-(difluoromethyl)-3-pyridinyl]-2-methylpropyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 155214187
2-amino-N-[(2S)-butan-2-yl]-6-[1-(2-methoxy-1-phenylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 155232171
2-amino-6-[1-(1-benzylazetidin-3-yl)pyrazol-4-yl]-N-butan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 155232015
6-[1-[(S)-(1-acetylpiperidin-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-2-amino-N-(2-methylbutyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 155713867

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-N-(1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 2-amino-6-bromo-N-(1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 155231987) is 2-amino-6-bromo-N-(1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for 2-amino-6-bromo-N-(1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 2-amino-6-bromo-N-(1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is CCC(NC(=O)c1cc(Br)cn2nc(N)nc12)C(F)(F)F.
What is the InChIKey of 2-amino-6-bromo-N-(1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is CBDNVWQNLHDXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3N5O/c1-2-7(11(13,14)15)17-9(21)6-3-5(12)4-20-8(6)18-10(16)19-20/h3-4,7H,2H2,1H3,(H2,16,19)(H,17,21).
What are the key properties of 2-amino-6-bromo-N-(1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
2-amino-6-bromo-N-(1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 366.14 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-N-(1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 155231987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).