[4-(2H-tetrazol-5-yl)phenyl]methanamine;hydrochloride

C8H10ClN5 — CID 23224690

IUPAC[4-(2H-tetrazol-5-yl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C8H9N5.ClH/c9-5-6-1-3-7(4-2-6)8-10-12-13-11-8;/h1-4H,5,9H2,(H,10,11,12,13);1H
InChIKeyAYGATWAUTLJNTK-UHFFFAOYSA-N
MW211.66 g/mol
LogP0.75
Rot. Bonds2

About [4-(2H-tetrazol-5-yl)phenyl]methanamine;hydrochloride

[4-(2H-tetrazol-5-yl)phenyl]methanamine;hydrochloride (PubChem CID 23224690) has the molecular formula C8H10ClN5 and a molecular weight of 211.66 g/mol. Its IUPAC name is [4-(2H-tetrazol-5-yl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(2H-tetrazol-5-yl)phenyl]methanamine;hydrochloride
PubChem CID23224690
Molecular FormulaC8H10ClN5
Molecular Weight211.66 g/mol
Exact Mass211.06
IUPAC Name[4-(2H-tetrazol-5-yl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C8H9N5.ClH/c9-5-6-1-3-7(4-2-6)8-10-12-13-11-8;/h1-4H,5,9H2,(H,10,11,12,13);1H
InChIKeyAYGATWAUTLJNTK-UHFFFAOYSA-N
XLogP0.75
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.66
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2H-tetrazol-5-yl)phenyl]methanamine;hydrochloride?
The IUPAC name of [4-(2H-tetrazol-5-yl)phenyl]methanamine;hydrochloride (CID 23224690) is [4-(2H-tetrazol-5-yl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-(2H-tetrazol-5-yl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-(2H-tetrazol-5-yl)phenyl]methanamine;hydrochloride is Cl.NCc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of [4-(2H-tetrazol-5-yl)phenyl]methanamine;hydrochloride?
The InChIKey is AYGATWAUTLJNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5.ClH/c9-5-6-1-3-7(4-2-6)8-10-12-13-11-8;/h1-4H,5,9H2,(H,10,11,12,13);1H.
What are the key properties of [4-(2H-tetrazol-5-yl)phenyl]methanamine;hydrochloride?
[4-(2H-tetrazol-5-yl)phenyl]methanamine;hydrochloride has a molecular weight of 211.66 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2H-tetrazol-5-yl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 23224690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).