2-[5-(2-aminophenyl)tetrazol-2-yl]ethanol

C9H11N5O — CID 135371573

IUPAC2-[5-(2-aminophenyl)tetrazol-2-yl]ethanol
SMILESNc1ccccc1-c1nnn(CCO)n1
InChIInChI=1S/C9H11N5O/c10-8-4-2-1-3-7(8)9-11-13-14(12-9)5-6-15/h1-4,15H,5-6,10H2
InChIKeySOYFYUHVQDUCAO-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.09
Rot. Bonds3

About 2-[5-(2-aminophenyl)tetrazol-2-yl]ethanol

2-[5-(2-aminophenyl)tetrazol-2-yl]ethanol (PubChem CID 135371573) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-[5-(2-aminophenyl)tetrazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-(2-aminophenyl)tetrazol-2-yl]ethanol
PubChem CID135371573
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name2-[5-(2-aminophenyl)tetrazol-2-yl]ethanol
SMILESNc1ccccc1-c1nnn(CCO)n1
InChIInChI=1S/C9H11N5O/c10-8-4-2-1-3-7(8)9-11-13-14(12-9)5-6-15/h1-4,15H,5-6,10H2
InChIKeySOYFYUHVQDUCAO-UHFFFAOYSA-N
XLogP-0.09
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.09
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-2-yl]ethanol?
The IUPAC name of 2-[5-(2-aminophenyl)tetrazol-2-yl]ethanol (CID 135371573) is 2-[5-(2-aminophenyl)tetrazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-(2-aminophenyl)tetrazol-2-yl]ethanol?
The canonical SMILES for 2-[5-(2-aminophenyl)tetrazol-2-yl]ethanol is Nc1ccccc1-c1nnn(CCO)n1.
What is the InChIKey of 2-[5-(2-aminophenyl)tetrazol-2-yl]ethanol?
The InChIKey is SOYFYUHVQDUCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c10-8-4-2-1-3-7(8)9-11-13-14(12-9)5-6-15/h1-4,15H,5-6,10H2.
What are the key properties of 2-[5-(2-aminophenyl)tetrazol-2-yl]ethanol?
2-[5-(2-aminophenyl)tetrazol-2-yl]ethanol has a molecular weight of 205.22 g/mol, XLogP of -0.09, 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-2-yl]ethanol is sourced from PubChem (CID 135371573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).