5-(2-methylphenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole

C16H14N8 — CID 973145

IUPAC5-(2-methylphenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole
SMILESCc1ccccc1-c1nnn(Cc2ccc(-c3nn[nH]n3)cc2)n1
InChIInChI=1S/C16H14N8/c1-11-4-2-3-5-14(11)16-19-23-24(20-16)10-12-6-8-13(9-7-12)15-17-21-22-18-15/h2-9H,10H2,1H3,(H,17,18,21,22)
InChIKeyAZGKLJYVGROISP-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.88
Rot. Bonds4

About 5-(2-methylphenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole

5-(2-methylphenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole (PubChem CID 973145) has the molecular formula C16H14N8 and a molecular weight of 318.34 g/mol. Its IUPAC name is 5-(2-methylphenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole.

Molecular Properties

Compound Name5-(2-methylphenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole
PubChem CID973145
Molecular FormulaC16H14N8
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Name5-(2-methylphenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole
SMILESCc1ccccc1-c1nnn(Cc2ccc(-c3nn[nH]n3)cc2)n1
InChIInChI=1S/C16H14N8/c1-11-4-2-3-5-14(11)16-19-23-24(20-16)10-12-6-8-13(9-7-12)15-17-21-22-18-15/h2-9H,10H2,1H3,(H,17,18,21,22)
InChIKeyAZGKLJYVGROISP-UHFFFAOYSA-N
XLogP1.88
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Phenylenebistetrazole
CID 788681
5-(4'-Methyl-1,1'-biphenyl-2-yl)-1H-tetrazole
CID 9794697
5-biphenyl-2-yl-1H-tetrazole
CID 15207492
5-(4-{[5-(2-chlorophenyl)-2H-tetrazol-2-yl]methyl}phenyl)-1H-tetrazole
CID 2222207
3-(5-Biphenyl-4-yl-tetrazol-2-yl)-propionitrile
CID 10802348
5-(4-fluorophenyl)-2-(2-methylbenzyl)-2H-tetrazole
CID 738168
5-[4'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]-1H-1,2,3,4-tetrazole
CID 59248649
5-[4-(2H-tetrazol-5-yl)phenyl]-2H-tetrazole
CID 280939
2H-Tetrazole, 5-[1,1'-biphenyl]-4-yl-
CID 112946
5-(4-Ethyl-phenyl)-2-(1H-tetrazol-5-ylmethyl)-2H-tetrazole
CID 653811
4-(5-Biphenyl-4-yl-tetrazol-2-yl)-butyronitrile
CID 10755867
1H-1,2,3,4-Tetrazole, 5-[3-[5-(2-fluorophenyl)-2H-1,2,3,4-tetrazol-2-yl]propyl]-
CID 16763036

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole?
The IUPAC name of 5-(2-methylphenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole (CID 973145) is 5-(2-methylphenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole.
What is the SMILES notation for 5-(2-methylphenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole?
The canonical SMILES for 5-(2-methylphenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole is Cc1ccccc1-c1nnn(Cc2ccc(-c3nn[nH]n3)cc2)n1.
What is the InChIKey of 5-(2-methylphenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole?
The InChIKey is AZGKLJYVGROISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8/c1-11-4-2-3-5-14(11)16-19-23-24(20-16)10-12-6-8-13(9-7-12)15-17-21-22-18-15/h2-9H,10H2,1H3,(H,17,18,21,22).
What are the key properties of 5-(2-methylphenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole?
5-(2-methylphenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole has a molecular weight of 318.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole is sourced from PubChem (CID 973145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).