N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

C11H10F3N5O3 — CID 56587859

IUPACN-(1-methyl-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1cnc(NC(=O)c2ccccn2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H9N5O.C2HF3O2/c1-14-6-11-9(13-14)12-8(15)7-4-2-3-5-10-7;3-2(4,5)1(6)7/h2-6H,1H3,(H,12,13,15);(H,6,7)
InChIKeyHGAUYLZIVHZXMU-UHFFFAOYSA-N
MW317.23 g/mol
LogP1.10
Rot. Bonds2

About N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 56587859) has the molecular formula C11H10F3N5O3 and a molecular weight of 317.23 g/mol. Its IUPAC name is N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(1-methyl-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID56587859
Molecular FormulaC11H10F3N5O3
Molecular Weight317.23 g/mol
Exact Mass317.07
IUPAC NameN-(1-methyl-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1cnc(NC(=O)c2ccccn2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H9N5O.C2HF3O2/c1-14-6-11-9(13-14)12-8(15)7-4-2-3-5-10-7;3-2(4,5)1(6)7/h2-6H,1H3,(H,12,13,15);(H,6,7)
InChIKeyHGAUYLZIVHZXMU-UHFFFAOYSA-N
XLogP1.10
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methylpyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 172678259
2-methylpyridine;2,2,2-trifluoroacetic acid
CID 22066303
N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 47028121
N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide
CID 15860605
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
pyridine-2-carboximidamide;2,2,2-trifluoroacetic acid
CID 161312588
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
N'-(5,5,5-trifluoro-4-oxopent-2-en-2-yl)pyridine-2-carbohydrazide
CID 74689752
N-(2,2-difluoro-2-phenylethyl)pyridine-2-carboxamide
CID 162399417
N-[4-[(5-chloro-2-pyridinyl)oxy]-3-fluorophenyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 73058453
N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyridine-2-carboxamide
CID 110471213
N-[4,5-dimethoxy-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 102266460

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 56587859) is N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is Cn1cnc(NC(=O)c2ccccn2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is HGAUYLZIVHZXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O.C2HF3O2/c1-14-6-11-9(13-14)12-8(15)7-4-2-3-5-10-7;3-2(4,5)1(6)7/h2-6H,1H3,(H,12,13,15);(H,6,7).
What are the key properties of N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 317.23 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 56587859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).