5-(5-methyl-2-phenylphenyl)-5H-tetrazole

C14H12N4 — CID 174342185

IUPAC5-(5-methyl-2-phenylphenyl)-5H-tetrazole
SMILESCc1ccc(-c2ccccc2)c(C2N=NN=N2)c1
InChIInChI=1S/C14H12N4/c1-10-7-8-12(11-5-3-2-4-6-11)13(9-10)14-15-17-18-16-14/h2-9,14H,1H3
InChIKeySYWTVRQQGFQZOO-UHFFFAOYSA-N
MW236.28 g/mol
LogP4.49
Rot. Bonds2

About 5-(5-methyl-2-phenylphenyl)-5H-tetrazole

5-(5-methyl-2-phenylphenyl)-5H-tetrazole (PubChem CID 174342185) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 5-(5-methyl-2-phenylphenyl)-5H-tetrazole.

Molecular Properties

Compound Name5-(5-methyl-2-phenylphenyl)-5H-tetrazole
PubChem CID174342185
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name5-(5-methyl-2-phenylphenyl)-5H-tetrazole
SMILESCc1ccc(-c2ccccc2)c(C2N=NN=N2)c1
InChIInChI=1S/C14H12N4/c1-10-7-8-12(11-5-3-2-4-6-11)13(9-10)14-15-17-18-16-14/h2-9,14H,1H3
InChIKeySYWTVRQQGFQZOO-UHFFFAOYSA-N
XLogP4.49
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-2-phenylphenyl)-5H-tetrazole?
The IUPAC name of 5-(5-methyl-2-phenylphenyl)-5H-tetrazole (CID 174342185) is 5-(5-methyl-2-phenylphenyl)-5H-tetrazole.
What is the SMILES notation for 5-(5-methyl-2-phenylphenyl)-5H-tetrazole?
The canonical SMILES for 5-(5-methyl-2-phenylphenyl)-5H-tetrazole is Cc1ccc(-c2ccccc2)c(C2N=NN=N2)c1.
What is the InChIKey of 5-(5-methyl-2-phenylphenyl)-5H-tetrazole?
The InChIKey is SYWTVRQQGFQZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-10-7-8-12(11-5-3-2-4-6-11)13(9-10)14-15-17-18-16-14/h2-9,14H,1H3.
What are the key properties of 5-(5-methyl-2-phenylphenyl)-5H-tetrazole?
5-(5-methyl-2-phenylphenyl)-5H-tetrazole has a molecular weight of 236.28 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-2-phenylphenyl)-5H-tetrazole is sourced from PubChem (CID 174342185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).