4-amino-N-[(E)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazole-3-carboxamide

C9H8N6O2 — CID 6894288

IUPAC4-amino-N-[(E)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)N/N=C/c1ccncc1
InChIInChI=1S/C9H8N6O2/c10-8-7(14-17-15-8)9(16)13-12-5-6-1-3-11-4-2-6/h1-5H,(H2,10,15)(H,13,16)/b12-5+
InChIKeyFCCJENFMZNHMMA-LFYBBSHMSA-N
MW232.20 g/mol
LogP-0.19
Rot. Bonds3

About 4-amino-N-[(E)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[(E)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 6894288) has the molecular formula C9H8N6O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 4-amino-N-[(E)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(E)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazole-3-carboxamide
PubChem CID6894288
Molecular FormulaC9H8N6O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name4-amino-N-[(E)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)N/N=C/c1ccncc1
InChIInChI=1S/C9H8N6O2/c10-8-7(14-17-15-8)9(16)13-12-5-6-1-3-11-4-2-6/h1-5H,(H2,10,15)(H,13,16)/b12-5+
InChIKeyFCCJENFMZNHMMA-LFYBBSHMSA-N
XLogP-0.19
TPSA119.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(E)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(E)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazole-3-carboxamide (CID 6894288) is 4-amino-N-[(E)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(E)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(E)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)N/N=C/c1ccncc1.
What is the InChIKey of 4-amino-N-[(E)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is FCCJENFMZNHMMA-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H8N6O2/c10-8-7(14-17-15-8)9(16)13-12-5-6-1-3-11-4-2-6/h1-5H,(H2,10,15)(H,13,16)/b12-5+.
What are the key properties of 4-amino-N-[(E)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[(E)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 232.20 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(E)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 6894288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).