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

C14H13N7O — CID 948076

IUPAC2-(5-aminotetrazol-2-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide
SMILESNc1nnn(CC(=O)NN=Cc2cccc3ccccc23)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)
InChIKeyIMXMCGADDRASII-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.56
Rot. Bonds4

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

2-(5-aminotetrazol-2-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide (PubChem CID 948076) has the molecular formula C14H13N7O and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-(5-aminotetrazol-2-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-2-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide
PubChem CID948076
Molecular FormulaC14H13N7O
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-(5-aminotetrazol-2-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide
SMILESNc1nnn(CC(=O)NN=Cc2cccc3ccccc23)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)
InChIKeyIMXMCGADDRASII-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-2-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide?
The IUPAC name of 2-(5-aminotetrazol-2-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide (CID 948076) is 2-(5-aminotetrazol-2-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-2-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide?
The canonical SMILES for 2-(5-aminotetrazol-2-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide is Nc1nnn(CC(=O)NN=Cc2cccc3ccccc23)n1.
What is the InChIKey of 2-(5-aminotetrazol-2-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide?
The InChIKey is IMXMCGADDRASII-UHFFFAOYSA-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).
What are the key properties of 2-(5-aminotetrazol-2-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide?
2-(5-aminotetrazol-2-yl)-N-(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-(naphthalen-1-ylmethylideneamino)acetamide is sourced from PubChem (CID 948076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).