5-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-methylphenyl)methyl]tetrazole

C17H12F6N4 — CID 2730406

IUPAC5-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-methylphenyl)methyl]tetrazole
SMILESCc1ccc(Cn2nnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C17H12F6N4/c1-10-2-4-11(5-3-10)9-27-25-15(24-26-27)12-6-13(16(18,19)20)8-14(7-12)17(21,22)23/h2-8H,9H2,1H3
InChIKeyFBCXJJIPWDMKME-UHFFFAOYSA-N
MW386.30 g/mol
LogP4.73
Rot. Bonds3

About 5-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-methylphenyl)methyl]tetrazole

5-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-methylphenyl)methyl]tetrazole (PubChem CID 2730406) has the molecular formula C17H12F6N4 and a molecular weight of 386.30 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-methylphenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-methylphenyl)methyl]tetrazole
PubChem CID2730406
Molecular FormulaC17H12F6N4
Molecular Weight386.30 g/mol
Exact Mass386.10
IUPAC Name5-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-methylphenyl)methyl]tetrazole
SMILESCc1ccc(Cn2nnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C17H12F6N4/c1-10-2-4-11(5-3-10)9-27-25-15(24-26-27)12-6-13(16(18,19)20)8-14(7-12)17(21,22)23/h2-8H,9H2,1H3
InChIKeyFBCXJJIPWDMKME-UHFFFAOYSA-N
XLogP4.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-methylphenyl)methyl]tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-methylphenyl)methyl]tetrazole?
The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-methylphenyl)methyl]tetrazole (CID 2730406) is 5-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-methylphenyl)methyl]tetrazole.
What is the SMILES notation for 5-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-methylphenyl)methyl]tetrazole?
The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-methylphenyl)methyl]tetrazole is Cc1ccc(Cn2nnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1.
What is the InChIKey of 5-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-methylphenyl)methyl]tetrazole?
The InChIKey is FBCXJJIPWDMKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6N4/c1-10-2-4-11(5-3-10)9-27-25-15(24-26-27)12-6-13(16(18,19)20)8-14(7-12)17(21,22)23/h2-8H,9H2,1H3.
What are the key properties of 5-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-methylphenyl)methyl]tetrazole?
5-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-methylphenyl)methyl]tetrazole has a molecular weight of 386.30 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-methylphenyl)methyl]tetrazole is sourced from PubChem (CID 2730406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).