[4-(tetrazol-2-yl)phenyl]methanamine

C₈H₉N₅ — CID 152729585

About [4-(tetrazol-2-yl)phenyl]methanamine

[4-(tetrazol-2-yl)phenyl]methanamine (PubChem CID 152729585) has the molecular formula C₈H₉N₅ and a molecular weight of 175.19 g/mol. Its IUPAC name is [4-(tetrazol-2-yl)phenyl]methanamine.

Molecular Properties

• Compound Name: [4-(tetrazol-2-yl)phenyl]methanamine
• PubChem CID: 152729585
• Molecular Formula: C₈H₉N₅
• Molecular Weight: 175.19 g/mol
• Exact Mass: 175.09
• IUPAC Name: [4-(tetrazol-2-yl)phenyl]methanamine
• SMILES: NCc1ccc(-n2ncnn2)cc1
• InChI: InChI=1S/C8H9N5/c9-5-7-1-3-8(4-2-7)13-11-6-10-12-13/h1-4,6H,5,9H2
• InChIKey: ZXIFHHLKYVPBPF-UHFFFAOYSA-N
• XLogP: 0.12
• TPSA: 69.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	175.19
LogP ≤ 5	0.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-(tetrazol-2-yl)phenyl]methanamine?

The IUPAC name of [4-(tetrazol-2-yl)phenyl]methanamine (CID 152729585) is [4-(tetrazol-2-yl)phenyl]methanamine.

What is the SMILES notation for [4-(tetrazol-2-yl)phenyl]methanamine?

The canonical SMILES for [4-(tetrazol-2-yl)phenyl]methanamine is NCc1ccc(-n2ncnn2)cc1.

What is the InChIKey of [4-(tetrazol-2-yl)phenyl]methanamine?

The InChIKey is ZXIFHHLKYVPBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c9-5-7-1-3-8(4-2-7)13-11-6-10-12-13/h1-4,6H,5,9H2.

What are the key properties of [4-(tetrazol-2-yl)phenyl]methanamine?

[4-(tetrazol-2-yl)phenyl]methanamine has a molecular weight of 175.19 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(tetrazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 152729585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 152729585 — identifiers, structure, computed properties (public domain)

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