5-(4-fluorophenyl)-2-[(2-methylphenyl)methyl]tetrazole

C15H13FN4 — CID 738168

IUPAC5-(4-fluorophenyl)-2-[(2-methylphenyl)methyl]tetrazole
SMILESCc1ccccc1Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H13FN4/c1-11-4-2-3-5-13(11)10-20-18-15(17-19-20)12-6-8-14(16)9-7-12/h2-9H,10H2,1H3
InChIKeyILNIQQWSOUILEJ-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.84
Rot. Bonds3

About 5-(4-fluorophenyl)-2-[(2-methylphenyl)methyl]tetrazole

5-(4-fluorophenyl)-2-[(2-methylphenyl)methyl]tetrazole (PubChem CID 738168) has the molecular formula C15H13FN4 and a molecular weight of 268.30 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-[(2-methylphenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-[(2-methylphenyl)methyl]tetrazole
PubChem CID738168
Molecular FormulaC15H13FN4
Molecular Weight268.30 g/mol
Exact Mass268.11
IUPAC Name5-(4-fluorophenyl)-2-[(2-methylphenyl)methyl]tetrazole
SMILESCc1ccccc1Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H13FN4/c1-11-4-2-3-5-13(11)10-20-18-15(17-19-20)12-6-8-14(16)9-7-12/h2-9H,10H2,1H3
InChIKeyILNIQQWSOUILEJ-UHFFFAOYSA-N
XLogP2.84
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-[(2-methylphenyl)methyl]tetrazole?
The IUPAC name of 5-(4-fluorophenyl)-2-[(2-methylphenyl)methyl]tetrazole (CID 738168) is 5-(4-fluorophenyl)-2-[(2-methylphenyl)methyl]tetrazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-[(2-methylphenyl)methyl]tetrazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-[(2-methylphenyl)methyl]tetrazole is Cc1ccccc1Cn1nnc(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-(4-fluorophenyl)-2-[(2-methylphenyl)methyl]tetrazole?
The InChIKey is ILNIQQWSOUILEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4/c1-11-4-2-3-5-13(11)10-20-18-15(17-19-20)12-6-8-14(16)9-7-12/h2-9H,10H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-2-[(2-methylphenyl)methyl]tetrazole?
5-(4-fluorophenyl)-2-[(2-methylphenyl)methyl]tetrazole has a molecular weight of 268.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-[(2-methylphenyl)methyl]tetrazole is sourced from PubChem (CID 738168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).