2-(tetrazol-1-yl)aniline

C7H7N5 — CID 15632951

IUPAC2-(tetrazol-1-yl)aniline
SMILESNc1ccccc1-n1cnnn1
InChIInChI=1S/C7H7N5/c8-6-3-1-2-4-7(6)12-5-9-10-11-12/h1-5H,8H2
InChIKeySZZQSRGQFXNPLZ-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.24
Rot. Bonds1

About 2-(tetrazol-1-yl)aniline

2-(tetrazol-1-yl)aniline (PubChem CID 15632951) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-(tetrazol-1-yl)aniline
PubChem CID15632951
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Name2-(tetrazol-1-yl)aniline
SMILESNc1ccccc1-n1cnnn1
InChIInChI=1S/C7H7N5/c8-6-3-1-2-4-7(6)12-5-9-10-11-12/h1-5H,8H2
InChIKeySZZQSRGQFXNPLZ-UHFFFAOYSA-N
XLogP0.24
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(tetrazol-1-yl)aniline?
The IUPAC name of 2-(tetrazol-1-yl)aniline (CID 15632951) is 2-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-(tetrazol-1-yl)aniline is Nc1ccccc1-n1cnnn1.
What is the InChIKey of 2-(tetrazol-1-yl)aniline?
The InChIKey is SZZQSRGQFXNPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c8-6-3-1-2-4-7(6)12-5-9-10-11-12/h1-5H,8H2.
What are the key properties of 2-(tetrazol-1-yl)aniline?
2-(tetrazol-1-yl)aniline has a molecular weight of 161.17 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-1-yl)aniline is sourced from PubChem (CID 15632951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).