2-(5-aminotetrazol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide

C14H13N7O — CID 6884494

IUPAC2-(5-aminotetrazol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide
SMILESNc1nnn(CC(=O)N/N=C/c2cccc3ccccc23)n1
InChIInChI=1S/C14H13N7O/c15-14-18-20-21(19-14)9-13(22)17-16-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-8H,9H2,(H2,15,19)(H,17,22)/b16-8+
InChIKeyIMXMCGADDRASII-LZYBPNLTSA-N
MW295.31 g/mol
LogP0.56
Rot. Bonds4

About 2-(5-aminotetrazol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide

2-(5-aminotetrazol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide (PubChem CID 6884494) has the molecular formula C14H13N7O and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-(5-aminotetrazol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide
PubChem CID6884494
Molecular FormulaC14H13N7O
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-(5-aminotetrazol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide
SMILESNc1nnn(CC(=O)N/N=C/c2cccc3ccccc23)n1
InChIInChI=1S/C14H13N7O/c15-14-18-20-21(19-14)9-13(22)17-16-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-8H,9H2,(H2,15,19)(H,17,22)/b16-8+
InChIKeyIMXMCGADDRASII-LZYBPNLTSA-N
XLogP0.56
TPSA111.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.56
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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Related Compounds

2-(5-aminotetrazol-2-yl)-N-[(E)-benzylideneamino]acetamide
CID 6884647
2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6884485
2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(2-methylphenyl)methylidene]acetohydrazide
CID 6884642
2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(4-methylphenyl)methylidene]acetohydrazide
CID 6884689
2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(4-fluorophenyl)methylidene]acetohydrazide
CID 6884552
2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(2-fluorophenyl)methylidene]acetohydrazide
CID 6884556
2-(5-aminotetrazol-2-yl)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 948158
2-(5-aminotetrazol-2-yl)-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 948163
2-(5-aminotetrazol-2-yl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
CID 5424434
2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
CID 5424437
2-(5-aminotetrazol-2-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 948076
2-(5-aminotetrazol-2-yl)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 948285

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide?
The IUPAC name of 2-(5-aminotetrazol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide (CID 6884494) is 2-(5-aminotetrazol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide is Nc1nnn(CC(=O)N/N=C/c2cccc3ccccc23)n1.
What is the InChIKey of 2-(5-aminotetrazol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide?
The InChIKey is IMXMCGADDRASII-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H13N7O/c15-14-18-20-21(19-14)9-13(22)17-16-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-8H,9H2,(H2,15,19)(H,17,22)/b16-8+.
What are the key properties of 2-(5-aminotetrazol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide?
2-(5-aminotetrazol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide has a molecular weight of 295.31 g/mol, XLogP of 0.56, 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)-naphthalen-1-ylmethylideneamino]acetamide is sourced from PubChem (CID 6884494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).