5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole

C15H14N4 — CID 91017047

IUPAC5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole
SMILESCc1ccccc1Cc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C15H14N4/c1-11-5-2-3-7-13(11)9-12-6-4-8-14(10-12)15-16-18-19-17-15/h2-8,10H,9H2,1H3,(H,16,17,18,19)
InChIKeyJUWOKMYTQAGVKG-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.77
Rot. Bonds3

About 5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole

5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole (PubChem CID 91017047) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole
PubChem CID91017047
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole
SMILESCc1ccccc1Cc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C15H14N4/c1-11-5-2-3-7-13(11)9-12-6-4-8-14(10-12)15-16-18-19-17-15/h2-8,10H,9H2,1H3,(H,16,17,18,19)
InChIKeyJUWOKMYTQAGVKG-UHFFFAOYSA-N
XLogP2.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole (CID 91017047) is 5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole is Cc1ccccc1Cc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole?
The InChIKey is JUWOKMYTQAGVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-11-5-2-3-7-13(11)9-12-6-4-8-14(10-12)15-16-18-19-17-15/h2-8,10H,9H2,1H3,(H,16,17,18,19).
What are the key properties of 5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole?
5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole has a molecular weight of 250.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 91017047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).