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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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).