[4-(1-benzyltetrazol-5-yl)phenyl]methanamine

C15H15N5 — CID 82228443

IUPAC[4-(1-benzyltetrazol-5-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nnnn2Cc2ccccc2)cc1
InChIInChI=1S/C15H15N5/c16-10-12-6-8-14(9-7-12)15-17-18-19-20(15)11-13-4-2-1-3-5-13/h1-9H,10-11,16H2
InChIKeyHKZWXUTUAYOKCG-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.85
Rot. Bonds4

About [4-(1-benzyltetrazol-5-yl)phenyl]methanamine

[4-(1-benzyltetrazol-5-yl)phenyl]methanamine (PubChem CID 82228443) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is [4-(1-benzyltetrazol-5-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(1-benzyltetrazol-5-yl)phenyl]methanamine
PubChem CID82228443
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name[4-(1-benzyltetrazol-5-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nnnn2Cc2ccccc2)cc1
InChIInChI=1S/C15H15N5/c16-10-12-6-8-14(9-7-12)15-17-18-19-20(15)11-13-4-2-1-3-5-13/h1-9H,10-11,16H2
InChIKeyHKZWXUTUAYOKCG-UHFFFAOYSA-N
XLogP1.85
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1-benzyltetrazol-5-yl)phenyl]methanamine?
The IUPAC name of [4-(1-benzyltetrazol-5-yl)phenyl]methanamine (CID 82228443) is [4-(1-benzyltetrazol-5-yl)phenyl]methanamine.
What is the SMILES notation for [4-(1-benzyltetrazol-5-yl)phenyl]methanamine?
The canonical SMILES for [4-(1-benzyltetrazol-5-yl)phenyl]methanamine is NCc1ccc(-c2nnnn2Cc2ccccc2)cc1.
What is the InChIKey of [4-(1-benzyltetrazol-5-yl)phenyl]methanamine?
The InChIKey is HKZWXUTUAYOKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c16-10-12-6-8-14(9-7-12)15-17-18-19-20(15)11-13-4-2-1-3-5-13/h1-9H,10-11,16H2.
What are the key properties of [4-(1-benzyltetrazol-5-yl)phenyl]methanamine?
[4-(1-benzyltetrazol-5-yl)phenyl]methanamine has a molecular weight of 265.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzyltetrazol-5-yl)phenyl]methanamine is sourced from PubChem (CID 82228443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).