4,5-dimethyl-2-(5-phenyltetrazol-1-yl)aniline

C15H15N5 — CID 62098270

IUPAC4,5-dimethyl-2-(5-phenyltetrazol-1-yl)aniline
SMILESCc1cc(N)c(-n2nnnc2-c2ccccc2)cc1C
InChIInChI=1S/C15H15N5/c1-10-8-13(16)14(9-11(10)2)20-15(17-18-19-20)12-6-4-3-5-7-12/h3-9H,16H2,1-2H3
InChIKeyFSJBJSBAURSPEE-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.53
Rot. Bonds2

About 4,5-dimethyl-2-(5-phenyltetrazol-1-yl)aniline

4,5-dimethyl-2-(5-phenyltetrazol-1-yl)aniline (PubChem CID 62098270) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4,5-dimethyl-2-(5-phenyltetrazol-1-yl)aniline.

Molecular Properties

Compound Name4,5-dimethyl-2-(5-phenyltetrazol-1-yl)aniline
PubChem CID62098270
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name4,5-dimethyl-2-(5-phenyltetrazol-1-yl)aniline
SMILESCc1cc(N)c(-n2nnnc2-c2ccccc2)cc1C
InChIInChI=1S/C15H15N5/c1-10-8-13(16)14(9-11(10)2)20-15(17-18-19-20)12-6-4-3-5-7-12/h3-9H,16H2,1-2H3
InChIKeyFSJBJSBAURSPEE-UHFFFAOYSA-N
XLogP2.53
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.53
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 4,5-dimethyl-2-(5-phenyltetrazol-1-yl)aniline?
The IUPAC name of 4,5-dimethyl-2-(5-phenyltetrazol-1-yl)aniline (CID 62098270) is 4,5-dimethyl-2-(5-phenyltetrazol-1-yl)aniline.
What is the SMILES notation for 4,5-dimethyl-2-(5-phenyltetrazol-1-yl)aniline?
The canonical SMILES for 4,5-dimethyl-2-(5-phenyltetrazol-1-yl)aniline is Cc1cc(N)c(-n2nnnc2-c2ccccc2)cc1C.
What is the InChIKey of 4,5-dimethyl-2-(5-phenyltetrazol-1-yl)aniline?
The InChIKey is FSJBJSBAURSPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-10-8-13(16)14(9-11(10)2)20-15(17-18-19-20)12-6-4-3-5-7-12/h3-9H,16H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-(5-phenyltetrazol-1-yl)aniline?
4,5-dimethyl-2-(5-phenyltetrazol-1-yl)aniline has a molecular weight of 265.32 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(5-phenyltetrazol-1-yl)aniline is sourced from PubChem (CID 62098270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).