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

C8H9N5 — CID 152729585

IUPAC[4-(tetrazol-2-yl)phenyl]methanamine
SMILESNCc1ccc(-n2ncnn2)cc1
InChIInChI=1S/C8H9N5/c9-5-7-1-3-8(4-2-7)13-11-6-10-12-13/h1-4,6H,5,9H2
InChIKeyZXIFHHLKYVPBPF-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.12
Rot. Bonds2

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 CID152729585
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name[4-(tetrazol-2-yl)phenyl]methanamine
SMILESNCc1ccc(-n2ncnn2)cc1
InChIInChI=1S/C8H9N5/c9-5-7-1-3-8(4-2-7)13-11-6-10-12-13/h1-4,6H,5,9H2
InChIKeyZXIFHHLKYVPBPF-UHFFFAOYSA-N
XLogP0.12
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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).