5-(2-methylphenyl)-2-[(4-methylphenyl)methyl]tetrazole

C16H16N4 — CID 2222580

IUPAC5-(2-methylphenyl)-2-[(4-methylphenyl)methyl]tetrazole
SMILESCc1ccc(Cn2nnc(-c3ccccc3C)n2)cc1
InChIInChI=1S/C16H16N4/c1-12-7-9-14(10-8-12)11-20-18-16(17-19-20)15-6-4-3-5-13(15)2/h3-10H,11H2,1-2H3
InChIKeyFQOCUHONSPHDDT-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.01
Rot. Bonds3

About 5-(2-methylphenyl)-2-[(4-methylphenyl)methyl]tetrazole

5-(2-methylphenyl)-2-[(4-methylphenyl)methyl]tetrazole (PubChem CID 2222580) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-(2-methylphenyl)-2-[(4-methylphenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-(2-methylphenyl)-2-[(4-methylphenyl)methyl]tetrazole
PubChem CID2222580
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name5-(2-methylphenyl)-2-[(4-methylphenyl)methyl]tetrazole
SMILESCc1ccc(Cn2nnc(-c3ccccc3C)n2)cc1
InChIInChI=1S/C16H16N4/c1-12-7-9-14(10-8-12)11-20-18-16(17-19-20)15-6-4-3-5-13(15)2/h3-10H,11H2,1-2H3
InChIKeyFQOCUHONSPHDDT-UHFFFAOYSA-N
XLogP3.01
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylphenyl)-2H-1,2,3,4-tetrazole
CID 583067
5-(4'-Methyl-1,1'-biphenyl-2-yl)-1H-tetrazole
CID 9794697
5-(4-{[5-(2-methylphenyl)-2H-tetrazol-2-yl]methyl}phenyl)-1H-tetrazole
CID 973145
2-Benzyl-5-phenyl-2h-tetrazole
CID 285167
1,2,4,5-Tetrazine, 3,6-bis(4-methylphenyl)-
CID 576074
5-phenyl-2-(2-phenylpropan-2-yl)-2H-tetrazole
CID 1289594
2H-Tetrazole, 2-ethyl-5-phenyl-
CID 14524424
2-(2-Methylpropyl)-5-[(4-phenylphenyl)methyl]tetrazole
CID 44448617
5-biphenyl-2-yl-1H-tetrazole
CID 15207492
2-(4-methylbenzyl)-5-[4-(methylthio)phenyl]-2H-tetrazole
CID 892736
2-(5-Biphenyl-4-yl-tetrazol-2-yl)-ethanol
CID 10659394
3-(5-Biphenyl-4-yl-tetrazol-2-yl)-propionitrile
CID 10802348

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-2-[(4-methylphenyl)methyl]tetrazole?
The IUPAC name of 5-(2-methylphenyl)-2-[(4-methylphenyl)methyl]tetrazole (CID 2222580) is 5-(2-methylphenyl)-2-[(4-methylphenyl)methyl]tetrazole.
What is the SMILES notation for 5-(2-methylphenyl)-2-[(4-methylphenyl)methyl]tetrazole?
The canonical SMILES for 5-(2-methylphenyl)-2-[(4-methylphenyl)methyl]tetrazole is Cc1ccc(Cn2nnc(-c3ccccc3C)n2)cc1.
What is the InChIKey of 5-(2-methylphenyl)-2-[(4-methylphenyl)methyl]tetrazole?
The InChIKey is FQOCUHONSPHDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-12-7-9-14(10-8-12)11-20-18-16(17-19-20)15-6-4-3-5-13(15)2/h3-10H,11H2,1-2H3.
What are the key properties of 5-(2-methylphenyl)-2-[(4-methylphenyl)methyl]tetrazole?
5-(2-methylphenyl)-2-[(4-methylphenyl)methyl]tetrazole has a molecular weight of 264.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-2-[(4-methylphenyl)methyl]tetrazole is sourced from PubChem (CID 2222580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).