4-(2-benzyltetrazol-5-yl)aniline

C14H13N5 — CID 1463677

IUPAC4-(2-benzyltetrazol-5-yl)aniline
SMILESNc1ccc(-c2nnn(Cc3ccccc3)n2)cc1
InChIInChI=1S/C14H13N5/c15-13-8-6-12(7-9-13)14-16-18-19(17-14)10-11-4-2-1-3-5-11/h1-9H,10,15H2
InChIKeyVEMRBMPIUJEADC-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.97
Rot. Bonds3

About 4-(2-benzyltetrazol-5-yl)aniline

4-(2-benzyltetrazol-5-yl)aniline (PubChem CID 1463677) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(2-benzyltetrazol-5-yl)aniline.

Molecular Properties

Compound Name4-(2-benzyltetrazol-5-yl)aniline
PubChem CID1463677
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name4-(2-benzyltetrazol-5-yl)aniline
SMILESNc1ccc(-c2nnn(Cc3ccccc3)n2)cc1
InChIInChI=1S/C14H13N5/c15-13-8-6-12(7-9-13)14-16-18-19(17-14)10-11-4-2-1-3-5-11/h1-9H,10,15H2
InChIKeyVEMRBMPIUJEADC-UHFFFAOYSA-N
XLogP1.97
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-benzyltetrazol-5-yl)aniline?
The IUPAC name of 4-(2-benzyltetrazol-5-yl)aniline (CID 1463677) is 4-(2-benzyltetrazol-5-yl)aniline.
What is the SMILES notation for 4-(2-benzyltetrazol-5-yl)aniline?
The canonical SMILES for 4-(2-benzyltetrazol-5-yl)aniline is Nc1ccc(-c2nnn(Cc3ccccc3)n2)cc1.
What is the InChIKey of 4-(2-benzyltetrazol-5-yl)aniline?
The InChIKey is VEMRBMPIUJEADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c15-13-8-6-12(7-9-13)14-16-18-19(17-14)10-11-4-2-1-3-5-11/h1-9H,10,15H2.
What are the key properties of 4-(2-benzyltetrazol-5-yl)aniline?
4-(2-benzyltetrazol-5-yl)aniline has a molecular weight of 251.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzyltetrazol-5-yl)aniline is sourced from PubChem (CID 1463677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).