5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole)

C24H24N12 — CID 157257840

IUPAC5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole)
SMILESCc1ccc(-c2nn[nH]n2)cc1.Cc1ccc(-c2nn[nH]n2)cc1.Cc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/3C8H8N4/c2*1-6-2-4-7(5-3-6)8-9-11-12-10-8;1-6-3-2-4-7(5-6)8-9-11-12-10-8/h3*2-5H,1H3,(H,9,10,11,12)
InChIKeyAXCFXECUJNZAQR-UHFFFAOYSA-N
MW480.54 g/mol
LogP3.53
Rot. Bonds3

About 5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole)

5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole) (PubChem CID 157257840) has the molecular formula C24H24N12 and a molecular weight of 480.54 g/mol. Its IUPAC name is 5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole).

Molecular Properties

Compound Name5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole)
PubChem CID157257840
Molecular FormulaC24H24N12
Molecular Weight480.54 g/mol
Exact Mass480.22
IUPAC Name5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole)
SMILESCc1ccc(-c2nn[nH]n2)cc1.Cc1ccc(-c2nn[nH]n2)cc1.Cc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/3C8H8N4/c2*1-6-2-4-7(5-3-6)8-9-11-12-10-8;1-6-3-2-4-7(5-6)8-9-11-12-10-8/h3*2-5H,1H3,(H,9,10,11,12)
InChIKeyAXCFXECUJNZAQR-UHFFFAOYSA-N
XLogP3.53
TPSA163.38 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-(3-methylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 171058363
5-(3-tert-butylphenyl)-2H-tetrazole
CID 22972916
5-(3-chlorophenyl)-2H-tetrazole;5-(2-fluorophenyl)-2H-tetrazole;octakis(5-(4-methylphenyl)-2H-tetrazole);5-phenyl-2H-tetrazole
CID 159225872
2-(3-methylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110720231
4-methyl-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol
CID 63325066
5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole
CID 91017047
2-(3-methylphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110720239
5-methyl-2-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyrimidin-6-one
CID 118316426
2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162112872
5-(3-isothiocyanatophenyl)-2H-tetrazole
CID 88852474
2-[4-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 20652059
5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole
CID 15279617

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole)?
The IUPAC name of 5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole) (CID 157257840) is 5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole).
What is the SMILES notation for 5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole)?
The canonical SMILES for 5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole) is Cc1ccc(-c2nn[nH]n2)cc1.Cc1ccc(-c2nn[nH]n2)cc1.Cc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole)?
The InChIKey is AXCFXECUJNZAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H8N4/c2*1-6-2-4-7(5-3-6)8-9-11-12-10-8;1-6-3-2-4-7(5-6)8-9-11-12-10-8/h3*2-5H,1H3,(H,9,10,11,12).
What are the key properties of 5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole)?
5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole) has a molecular weight of 480.54 g/mol, XLogP of 3.53, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole) is sourced from PubChem (CID 157257840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).