2-[5-(4-aminophenyl)tetrazol-1-yl]acetic acid

C9H9N5O2 — CID 15007335

IUPAC2-[5-(4-aminophenyl)tetrazol-1-yl]acetic acid
SMILESNc1ccc(-c2nnnn2CC(=O)O)cc1
InChIInChI=1S/C9H9N5O2/c10-7-3-1-6(2-4-7)9-11-12-13-14(9)5-8(15)16/h1-4H,5,10H2,(H,15,16)
InChIKeyIXNKDRINCCGVSC-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.01
Rot. Bonds3

About 2-[5-(4-aminophenyl)tetrazol-1-yl]acetic acid

2-[5-(4-aminophenyl)tetrazol-1-yl]acetic acid (PubChem CID 15007335) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-[5-(4-aminophenyl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-aminophenyl)tetrazol-1-yl]acetic acid
PubChem CID15007335
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name2-[5-(4-aminophenyl)tetrazol-1-yl]acetic acid
SMILESNc1ccc(-c2nnnn2CC(=O)O)cc1
InChIInChI=1S/C9H9N5O2/c10-7-3-1-6(2-4-7)9-11-12-13-14(9)5-8(15)16/h1-4H,5,10H2,(H,15,16)
InChIKeyIXNKDRINCCGVSC-UHFFFAOYSA-N
XLogP0.01
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.01
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-(4-aminophenyl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(4-aminophenyl)tetrazol-1-yl]acetic acid (CID 15007335) is 2-[5-(4-aminophenyl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-aminophenyl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(4-aminophenyl)tetrazol-1-yl]acetic acid is Nc1ccc(-c2nnnn2CC(=O)O)cc1.
What is the InChIKey of 2-[5-(4-aminophenyl)tetrazol-1-yl]acetic acid?
The InChIKey is IXNKDRINCCGVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c10-7-3-1-6(2-4-7)9-11-12-13-14(9)5-8(15)16/h1-4H,5,10H2,(H,15,16).
What are the key properties of 2-[5-(4-aminophenyl)tetrazol-1-yl]acetic acid?
2-[5-(4-aminophenyl)tetrazol-1-yl]acetic acid has a molecular weight of 219.20 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-aminophenyl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 15007335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).