4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,2,5-oxadiazole-3-carboxamide

C10H9N7O2 — CID 62688186

IUPAC4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCc1nnc2ccccn12
InChIInChI=1S/C10H9N7O2/c11-9-8(15-19-16-9)10(18)12-5-7-14-13-6-3-1-2-4-17(6)7/h1-4H,5H2,(H2,11,16)(H,12,18)
InChIKeyYILPRPNBPJIAMH-UHFFFAOYSA-N
MW259.23 g/mol
LogP-0.38
Rot. Bonds3

About 4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62688186) has the molecular formula C10H9N7O2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID62688186
Molecular FormulaC10H9N7O2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCc1nnc2ccccn12
InChIInChI=1S/C10H9N7O2/c11-9-8(15-19-16-9)10(18)12-5-7-14-13-6-3-1-2-4-17(6)7/h1-4H,5H2,(H2,11,16)(H,12,18)
InChIKeyYILPRPNBPJIAMH-UHFFFAOYSA-N
XLogP-0.38
TPSA124.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,2,5-oxadiazole-3-carboxamide with MolForge

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Related Compounds

4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 61274777
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021173
(2S)-2-amino-2-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 104897648
5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-2-carboxamide
CID 30138650
2-(3-aminophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 65349831
5-methyl-2-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazole-4-carboxamide
CID 8834493
5-methyl-2-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 9360964
6-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridazine-3-carboxamide
CID 30602417
6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 115497637
4-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide
CID 39966669
2-(aminomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 114326281

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,2,5-oxadiazole-3-carboxamide (CID 62688186) is 4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NCc1nnc2ccccn12.
What is the InChIKey of 4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is YILPRPNBPJIAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7O2/c11-9-8(15-19-16-9)10(18)12-5-7-14-13-6-3-1-2-4-17(6)7/h1-4H,5H2,(H2,11,16)(H,12,18).
What are the key properties of 4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 259.23 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62688186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).