4-(2,2-dimethylpropyl)-3,5-bis(4-fluorophenyl)-1,2,4-triazole

C19H19F2N3 — CID 58390305

IUPAC4-(2,2-dimethylpropyl)-3,5-bis(4-fluorophenyl)-1,2,4-triazole
SMILESCC(C)(C)Cn1c(-c2ccc(F)cc2)nnc1-c1ccc(F)cc1
InChIInChI=1S/C19H19F2N3/c1-19(2,3)12-24-17(13-4-8-15(20)9-5-13)22-23-18(24)14-6-10-16(21)11-7-14/h4-11H,12H2,1-3H3
InChIKeyAZDCTPWFCOKMRO-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.94
Rot. Bonds3

About 4-(2,2-dimethylpropyl)-3,5-bis(4-fluorophenyl)-1,2,4-triazole

4-(2,2-dimethylpropyl)-3,5-bis(4-fluorophenyl)-1,2,4-triazole (PubChem CID 58390305) has the molecular formula C19H19F2N3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-3,5-bis(4-fluorophenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-3,5-bis(4-fluorophenyl)-1,2,4-triazole
PubChem CID58390305
Molecular FormulaC19H19F2N3
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name4-(2,2-dimethylpropyl)-3,5-bis(4-fluorophenyl)-1,2,4-triazole
SMILESCC(C)(C)Cn1c(-c2ccc(F)cc2)nnc1-c1ccc(F)cc1
InChIInChI=1S/C19H19F2N3/c1-19(2,3)12-24-17(13-4-8-15(20)9-5-13)22-23-18(24)14-6-10-16(21)11-7-14/h4-11H,12H2,1-3H3
InChIKeyAZDCTPWFCOKMRO-UHFFFAOYSA-N
XLogP4.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-3,5-bis(4-fluorophenyl)-1,2,4-triazole?
The IUPAC name of 4-(2,2-dimethylpropyl)-3,5-bis(4-fluorophenyl)-1,2,4-triazole (CID 58390305) is 4-(2,2-dimethylpropyl)-3,5-bis(4-fluorophenyl)-1,2,4-triazole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-3,5-bis(4-fluorophenyl)-1,2,4-triazole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-3,5-bis(4-fluorophenyl)-1,2,4-triazole is CC(C)(C)Cn1c(-c2ccc(F)cc2)nnc1-c1ccc(F)cc1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-3,5-bis(4-fluorophenyl)-1,2,4-triazole?
The InChIKey is AZDCTPWFCOKMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3/c1-19(2,3)12-24-17(13-4-8-15(20)9-5-13)22-23-18(24)14-6-10-16(21)11-7-14/h4-11H,12H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropyl)-3,5-bis(4-fluorophenyl)-1,2,4-triazole?
4-(2,2-dimethylpropyl)-3,5-bis(4-fluorophenyl)-1,2,4-triazole has a molecular weight of 327.38 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-3,5-bis(4-fluorophenyl)-1,2,4-triazole is sourced from PubChem (CID 58390305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).