2-(2,3-dimethylphenyl)-5-phenyltetrazole

C15H14N4 — CID 54119212

IUPAC2-(2,3-dimethylphenyl)-5-phenyltetrazole
SMILESCc1cccc(-n2nnc(-c3ccccc3)n2)c1C
InChIInChI=1S/C15H14N4/c1-11-7-6-10-14(12(11)2)19-17-15(16-18-19)13-8-4-3-5-9-13/h3-10H,1-2H3
InChIKeyNMLIFLQYXZFMCV-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.95
Rot. Bonds2

About 2-(2,3-dimethylphenyl)-5-phenyltetrazole

2-(2,3-dimethylphenyl)-5-phenyltetrazole (PubChem CID 54119212) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-5-phenyltetrazole.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-5-phenyltetrazole
PubChem CID54119212
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name2-(2,3-dimethylphenyl)-5-phenyltetrazole
SMILESCc1cccc(-n2nnc(-c3ccccc3)n2)c1C
InChIInChI=1S/C15H14N4/c1-11-7-6-10-14(12(11)2)19-17-15(16-18-19)13-8-4-3-5-9-13/h3-10H,1-2H3
InChIKeyNMLIFLQYXZFMCV-UHFFFAOYSA-N
XLogP2.95
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-5-phenyltetrazole?
The IUPAC name of 2-(2,3-dimethylphenyl)-5-phenyltetrazole (CID 54119212) is 2-(2,3-dimethylphenyl)-5-phenyltetrazole.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-5-phenyltetrazole?
The canonical SMILES for 2-(2,3-dimethylphenyl)-5-phenyltetrazole is Cc1cccc(-n2nnc(-c3ccccc3)n2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)-5-phenyltetrazole?
The InChIKey is NMLIFLQYXZFMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-11-7-6-10-14(12(11)2)19-17-15(16-18-19)13-8-4-3-5-9-13/h3-10H,1-2H3.
What are the key properties of 2-(2,3-dimethylphenyl)-5-phenyltetrazole?
2-(2,3-dimethylphenyl)-5-phenyltetrazole has a molecular weight of 250.31 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-5-phenyltetrazole is sourced from PubChem (CID 54119212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).