2-(5-aminotetrazol-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide

C9H10N8O — CID 6884242

IUPAC2-(5-aminotetrazol-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
SMILESNc1nnn(CC(=O)N/N=C/c2ccncc2)n1
InChIInChI=1S/C9H10N8O/c10-9-14-16-17(15-9)6-8(18)13-12-5-7-1-3-11-4-2-7/h1-5H,6H2,(H2,10,15)(H,13,18)/b12-5+
InChIKeyWKHCIBAEGSIJSV-LFYBBSHMSA-N
MW246.23 g/mol
LogP-1.20
Rot. Bonds4

About 2-(5-aminotetrazol-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide

2-(5-aminotetrazol-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide (PubChem CID 6884242) has the molecular formula C9H10N8O and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-(5-aminotetrazol-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
PubChem CID6884242
Molecular FormulaC9H10N8O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name2-(5-aminotetrazol-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
SMILESNc1nnn(CC(=O)N/N=C/c2ccncc2)n1
InChIInChI=1S/C9H10N8O/c10-9-14-16-17(15-9)6-8(18)13-12-5-7-1-3-11-4-2-7/h1-5H,6H2,(H2,10,15)(H,13,18)/b12-5+
InChIKeyWKHCIBAEGSIJSV-LFYBBSHMSA-N
XLogP-1.20
TPSA123.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 2-(5-aminotetrazol-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide?
The IUPAC name of 2-(5-aminotetrazol-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide (CID 6884242) is 2-(5-aminotetrazol-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide is Nc1nnn(CC(=O)N/N=C/c2ccncc2)n1.
What is the InChIKey of 2-(5-aminotetrazol-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide?
The InChIKey is WKHCIBAEGSIJSV-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H10N8O/c10-9-14-16-17(15-9)6-8(18)13-12-5-7-1-3-11-4-2-7/h1-5H,6H2,(H2,10,15)(H,13,18)/b12-5+.
What are the key properties of 2-(5-aminotetrazol-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide?
2-(5-aminotetrazol-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide has a molecular weight of 246.23 g/mol, XLogP of -1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide is sourced from PubChem (CID 6884242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).