[3-(tetrazol-1-yl)phenyl]methanamine;hydrochloride

C8H10ClN5 — CID 122163724

IUPAC[3-(tetrazol-1-yl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1cccc(-n2cnnn2)c1
InChIInChI=1S/C8H9N5.ClH/c9-5-7-2-1-3-8(4-7)13-6-10-11-12-13;/h1-4,6H,5,9H2;1H
InChIKeyNZZOGAIXGLVVLX-UHFFFAOYSA-N
MW211.66 g/mol
LogP0.54
Rot. Bonds2

About [3-(tetrazol-1-yl)phenyl]methanamine;hydrochloride

[3-(tetrazol-1-yl)phenyl]methanamine;hydrochloride (PubChem CID 122163724) has the molecular formula C8H10ClN5 and a molecular weight of 211.66 g/mol. Its IUPAC name is [3-(tetrazol-1-yl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(tetrazol-1-yl)phenyl]methanamine;hydrochloride
PubChem CID122163724
Molecular FormulaC8H10ClN5
Molecular Weight211.66 g/mol
Exact Mass211.06
IUPAC Name[3-(tetrazol-1-yl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1cccc(-n2cnnn2)c1
InChIInChI=1S/C8H9N5.ClH/c9-5-7-2-1-3-8(4-7)13-6-10-11-12-13;/h1-4,6H,5,9H2;1H
InChIKeyNZZOGAIXGLVVLX-UHFFFAOYSA-N
XLogP0.54
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.66
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(tetrazol-1-yl)phenyl]methanamine;hydrochloride?
The IUPAC name of [3-(tetrazol-1-yl)phenyl]methanamine;hydrochloride (CID 122163724) is [3-(tetrazol-1-yl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [3-(tetrazol-1-yl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [3-(tetrazol-1-yl)phenyl]methanamine;hydrochloride is Cl.NCc1cccc(-n2cnnn2)c1.
What is the InChIKey of [3-(tetrazol-1-yl)phenyl]methanamine;hydrochloride?
The InChIKey is NZZOGAIXGLVVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5.ClH/c9-5-7-2-1-3-8(4-7)13-6-10-11-12-13;/h1-4,6H,5,9H2;1H.
What are the key properties of [3-(tetrazol-1-yl)phenyl]methanamine;hydrochloride?
[3-(tetrazol-1-yl)phenyl]methanamine;hydrochloride has a molecular weight of 211.66 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(tetrazol-1-yl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 122163724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).