2-(5-aminotetrazol-1-yl)-N-(4-nitrophenyl)acetamide

C9H9N7O3 — CID 2902349

IUPAC2-(5-aminotetrazol-1-yl)-N-(4-nitrophenyl)acetamide
SMILESNc1nnnn1CC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H9N7O3/c10-9-12-13-14-15(9)5-8(17)11-6-1-3-7(4-2-6)16(18)19/h1-4H,5H2,(H,11,17)(H2,10,12,14)
InChIKeyPJKRSFZZRFVRFO-UHFFFAOYSA-N
MW263.22 g/mol
LogP-0.20
Rot. Bonds4

About 2-(5-aminotetrazol-1-yl)-N-(4-nitrophenyl)acetamide

2-(5-aminotetrazol-1-yl)-N-(4-nitrophenyl)acetamide (PubChem CID 2902349) has the molecular formula C9H9N7O3 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-(5-aminotetrazol-1-yl)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-1-yl)-N-(4-nitrophenyl)acetamide
PubChem CID2902349
Molecular FormulaC9H9N7O3
Molecular Weight263.22 g/mol
Exact Mass263.08
IUPAC Name2-(5-aminotetrazol-1-yl)-N-(4-nitrophenyl)acetamide
SMILESNc1nnnn1CC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H9N7O3/c10-9-12-13-14-15(9)5-8(17)11-6-1-3-7(4-2-6)16(18)19/h1-4H,5H2,(H,11,17)(H2,10,12,14)
InChIKeyPJKRSFZZRFVRFO-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-1-yl)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(5-aminotetrazol-1-yl)-N-(4-nitrophenyl)acetamide (CID 2902349) is 2-(5-aminotetrazol-1-yl)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-1-yl)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(5-aminotetrazol-1-yl)-N-(4-nitrophenyl)acetamide is Nc1nnnn1CC(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(5-aminotetrazol-1-yl)-N-(4-nitrophenyl)acetamide?
The InChIKey is PJKRSFZZRFVRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7O3/c10-9-12-13-14-15(9)5-8(17)11-6-1-3-7(4-2-6)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-(4-nitrophenyl)acetamide?
2-(5-aminotetrazol-1-yl)-N-(4-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-(4-nitrophenyl)acetamide is sourced from PubChem (CID 2902349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).