1-(4-methylphenyl)-5-(trifluoromethyl)tetrazole

C9H7F3N4 — CID 14663405

IUPAC1-(4-methylphenyl)-5-(trifluoromethyl)tetrazole
SMILESCc1ccc(-n2nnnc2C(F)(F)F)cc1
InChIInChI=1S/C9H7F3N4/c1-6-2-4-7(5-3-6)16-8(9(10,11)12)13-14-15-16/h2-5H,1H3
InChIKeyYAQPRCARZYYIJV-UHFFFAOYSA-N
MW228.18 g/mol
LogP1.99
Rot. Bonds1

About 1-(4-methylphenyl)-5-(trifluoromethyl)tetrazole

1-(4-methylphenyl)-5-(trifluoromethyl)tetrazole (PubChem CID 14663405) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-(trifluoromethyl)tetrazole
PubChem CID14663405
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name1-(4-methylphenyl)-5-(trifluoromethyl)tetrazole
SMILESCc1ccc(-n2nnnc2C(F)(F)F)cc1
InChIInChI=1S/C9H7F3N4/c1-6-2-4-7(5-3-6)16-8(9(10,11)12)13-14-15-16/h2-5H,1H3
InChIKeyYAQPRCARZYYIJV-UHFFFAOYSA-N
XLogP1.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Tetrazole, 1,5-diphenyl-
CID 139033
5-Methyl-1-phenyl-1H-tetrazole
CID 95204
5-(chloromethyl)-1-(4-methylphenyl)-1H-1,2,3,4-tetrazole
CID 3165841
4-[1-(4-aminophenyl)-1H-tetraazol-5-yl]phenylamine
CID 852671
1-(4-Methylphenyl)-5-(3-methylphenyl)-1,2,3,4-tetraazole
CID 855892
1-(4-methylphenyl)-5-phenyl-1H-tetrazole
CID 3638362
1-(2-Methylphenyl)-5-phenyl-1H-tetrazole
CID 2054464
1-(3-Trifluoromethyl-phenyl)-1H-tetrazole
CID 825506
1-(4-Tert-butylphenyl)-5-phenyltetrazole
CID 2732009
1-(4-Methylphenyl)-1h-tetrazol-5-amine
CID 283415
1,5-bis(3-methylphenyl)-1H-1,2,3,4-tetraazole
CID 1474273
Dimethyl-{4-[2-(1-phenyl-1H-tetrazol-5-yl)-vinyl]-phenyl}-amine
CID 5749675

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-(trifluoromethyl)tetrazole?
The IUPAC name of 1-(4-methylphenyl)-5-(trifluoromethyl)tetrazole (CID 14663405) is 1-(4-methylphenyl)-5-(trifluoromethyl)tetrazole.
What is the SMILES notation for 1-(4-methylphenyl)-5-(trifluoromethyl)tetrazole?
The canonical SMILES for 1-(4-methylphenyl)-5-(trifluoromethyl)tetrazole is Cc1ccc(-n2nnnc2C(F)(F)F)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-(trifluoromethyl)tetrazole?
The InChIKey is YAQPRCARZYYIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c1-6-2-4-7(5-3-6)16-8(9(10,11)12)13-14-15-16/h2-5H,1H3.
What are the key properties of 1-(4-methylphenyl)-5-(trifluoromethyl)tetrazole?
1-(4-methylphenyl)-5-(trifluoromethyl)tetrazole has a molecular weight of 228.18 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-(trifluoromethyl)tetrazole is sourced from PubChem (CID 14663405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).