2-(5-aminotetrazol-1-yl)-N-(2-nitrophenyl)acetamide

C9H9N7O3 — CID 4112412

IUPAC2-(5-aminotetrazol-1-yl)-N-(2-nitrophenyl)acetamide
SMILESNc1nnnn1CC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H9N7O3/c10-9-12-13-14-15(9)5-8(17)11-6-3-1-2-4-7(6)16(18)19/h1-4H,5H2,(H,11,17)(H2,10,12,14)
InChIKeyWXIHAMMLFBJKON-UHFFFAOYSA-N
MW263.22 g/mol
LogP-0.20
Rot. Bonds4

About 2-(5-aminotetrazol-1-yl)-N-(2-nitrophenyl)acetamide

2-(5-aminotetrazol-1-yl)-N-(2-nitrophenyl)acetamide (PubChem CID 4112412) has the molecular formula C9H9N7O3 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-(5-aminotetrazol-1-yl)-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-1-yl)-N-(2-nitrophenyl)acetamide
PubChem CID4112412
Molecular FormulaC9H9N7O3
Molecular Weight263.22 g/mol
Exact Mass263.08
IUPAC Name2-(5-aminotetrazol-1-yl)-N-(2-nitrophenyl)acetamide
SMILESNc1nnnn1CC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H9N7O3/c10-9-12-13-14-15(9)5-8(17)11-6-3-1-2-4-7(6)16(18)19/h1-4H,5H2,(H,11,17)(H2,10,12,14)
InChIKeyWXIHAMMLFBJKON-UHFFFAOYSA-N
XLogP-0.20
TPSA141.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(5-aminotetrazol-1-yl)-N-(2-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-1-yl)-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-(5-aminotetrazol-1-yl)-N-(2-nitrophenyl)acetamide (CID 4112412) is 2-(5-aminotetrazol-1-yl)-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-1-yl)-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-(5-aminotetrazol-1-yl)-N-(2-nitrophenyl)acetamide is Nc1nnnn1CC(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(5-aminotetrazol-1-yl)-N-(2-nitrophenyl)acetamide?
The InChIKey is WXIHAMMLFBJKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7O3/c10-9-12-13-14-15(9)5-8(17)11-6-3-1-2-4-7(6)16(18)19/h1-4H,5H2,(H,11,17)(H2,10,12,14).
What are the key properties of 2-(5-aminotetrazol-1-yl)-N-(2-nitrophenyl)acetamide?
2-(5-aminotetrazol-1-yl)-N-(2-nitrophenyl)acetamide has a molecular weight of 263.22 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-1-yl)-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 4112412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).