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

C14H14ClN5 — CID 19744205

IUPAC[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H13N5.ClH/c15-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14-16-18-19-17-14;/h1-8H,9,15H2,(H,16,17,18,19);1H
InChIKeyUIPBETMPKZPOAP-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.41
Rot. Bonds3

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

[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;hydrochloride (PubChem CID 19744205) has the molecular formula C14H14ClN5 and a molecular weight of 287.75 g/mol. Its IUPAC name is [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;hydrochloride
PubChem CID19744205
Molecular FormulaC14H14ClN5
Molecular Weight287.75 g/mol
Exact Mass287.09
IUPAC Name[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H13N5.ClH/c15-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14-16-18-19-17-14;/h1-8H,9,15H2,(H,16,17,18,19);1H
InChIKeyUIPBETMPKZPOAP-UHFFFAOYSA-N
XLogP2.41
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;hydrochloride?
The IUPAC name of [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;hydrochloride (CID 19744205) is [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;hydrochloride is Cl.NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;hydrochloride?
The InChIKey is UIPBETMPKZPOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5.ClH/c15-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14-16-18-19-17-14;/h1-8H,9,15H2,(H,16,17,18,19);1H.
What are the key properties of [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;hydrochloride?
[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;hydrochloride has a molecular weight of 287.75 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 19744205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).