2-(5-aminotetrazol-2-yl)-N-[(E)-benzylideneamino]acetamide

C10H11N7O — CID 6884647

IUPAC2-(5-aminotetrazol-2-yl)-N-[(E)-benzylideneamino]acetamide
SMILESNc1nnn(CC(=O)N/N=C/c2ccccc2)n1
InChIInChI=1S/C10H11N7O/c11-10-14-16-17(15-10)7-9(18)13-12-6-8-4-2-1-3-5-8/h1-6H,7H2,(H2,11,15)(H,13,18)/b12-6+
InChIKeySJJGYONQXRCVTP-WUXMJOGZSA-N
MW245.25 g/mol
LogP-0.59
Rot. Bonds4

About 2-(5-aminotetrazol-2-yl)-N-[(E)-benzylideneamino]acetamide

2-(5-aminotetrazol-2-yl)-N-[(E)-benzylideneamino]acetamide (PubChem CID 6884647) has the molecular formula C10H11N7O and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-(5-aminotetrazol-2-yl)-N-[(E)-benzylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-2-yl)-N-[(E)-benzylideneamino]acetamide
PubChem CID6884647
Molecular FormulaC10H11N7O
Molecular Weight245.25 g/mol
Exact Mass245.10
IUPAC Name2-(5-aminotetrazol-2-yl)-N-[(E)-benzylideneamino]acetamide
SMILESNc1nnn(CC(=O)N/N=C/c2ccccc2)n1
InChIInChI=1S/C10H11N7O/c11-10-14-16-17(15-10)7-9(18)13-12-6-8-4-2-1-3-5-8/h1-6H,7H2,(H2,11,15)(H,13,18)/b12-6+
InChIKeySJJGYONQXRCVTP-WUXMJOGZSA-N
XLogP-0.59
TPSA111.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 5-0.59
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 2-(5-aminotetrazol-2-yl)-N-[(E)-benzylideneamino]acetamide?
The IUPAC name of 2-(5-aminotetrazol-2-yl)-N-[(E)-benzylideneamino]acetamide (CID 6884647) is 2-(5-aminotetrazol-2-yl)-N-[(E)-benzylideneamino]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-2-yl)-N-[(E)-benzylideneamino]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-2-yl)-N-[(E)-benzylideneamino]acetamide is Nc1nnn(CC(=O)N/N=C/c2ccccc2)n1.
What is the InChIKey of 2-(5-aminotetrazol-2-yl)-N-[(E)-benzylideneamino]acetamide?
The InChIKey is SJJGYONQXRCVTP-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H11N7O/c11-10-14-16-17(15-10)7-9(18)13-12-6-8-4-2-1-3-5-8/h1-6H,7H2,(H2,11,15)(H,13,18)/b12-6+.
What are the key properties of 2-(5-aminotetrazol-2-yl)-N-[(E)-benzylideneamino]acetamide?
2-(5-aminotetrazol-2-yl)-N-[(E)-benzylideneamino]acetamide has a molecular weight of 245.25 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-2-yl)-N-[(E)-benzylideneamino]acetamide is sourced from PubChem (CID 6884647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).