2-[5-(2-aminophenyl)tetrazol-1-yl]acetamide

C9H10N6O — CID 23609046

IUPAC2-[5-(2-aminophenyl)tetrazol-1-yl]acetamide
SMILESNC(=O)Cn1nnnc1-c1ccccc1N
InChIInChI=1S/C9H10N6O/c10-7-4-2-1-3-6(7)9-12-13-14-15(9)5-8(11)16/h1-4H,5,10H2,(H2,11,16)
InChIKeyNMTLCGLIQXDPSV-UHFFFAOYSA-N
MW218.22 g/mol
LogP-0.59
Rot. Bonds3

About 2-[5-(2-aminophenyl)tetrazol-1-yl]acetamide

2-[5-(2-aminophenyl)tetrazol-1-yl]acetamide (PubChem CID 23609046) has the molecular formula C9H10N6O and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-[5-(2-aminophenyl)tetrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[5-(2-aminophenyl)tetrazol-1-yl]acetamide
PubChem CID23609046
Molecular FormulaC9H10N6O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name2-[5-(2-aminophenyl)tetrazol-1-yl]acetamide
SMILESNC(=O)Cn1nnnc1-c1ccccc1N
InChIInChI=1S/C9H10N6O/c10-7-4-2-1-3-6(7)9-12-13-14-15(9)5-8(11)16/h1-4H,5,10H2,(H2,11,16)
InChIKeyNMTLCGLIQXDPSV-UHFFFAOYSA-N
XLogP-0.59
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminophenyl)tetrazol-1-yl]acetamide?
The IUPAC name of 2-[5-(2-aminophenyl)tetrazol-1-yl]acetamide (CID 23609046) is 2-[5-(2-aminophenyl)tetrazol-1-yl]acetamide.
What is the SMILES notation for 2-[5-(2-aminophenyl)tetrazol-1-yl]acetamide?
The canonical SMILES for 2-[5-(2-aminophenyl)tetrazol-1-yl]acetamide is NC(=O)Cn1nnnc1-c1ccccc1N.
What is the InChIKey of 2-[5-(2-aminophenyl)tetrazol-1-yl]acetamide?
The InChIKey is NMTLCGLIQXDPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O/c10-7-4-2-1-3-6(7)9-12-13-14-15(9)5-8(11)16/h1-4H,5,10H2,(H2,11,16).
What are the key properties of 2-[5-(2-aminophenyl)tetrazol-1-yl]acetamide?
2-[5-(2-aminophenyl)tetrazol-1-yl]acetamide has a molecular weight of 218.22 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminophenyl)tetrazol-1-yl]acetamide is sourced from PubChem (CID 23609046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).