1,4,7-trifluoro-2-(1,2,4-triazol-1-ylmethyl)-9H-carbazole

C15H9F3N4 — CID 54322529

IUPAC1,4,7-trifluoro-2-(1,2,4-triazol-1-ylmethyl)-9H-carbazole
SMILESFc1ccc2c(c1)[nH]c1c(F)c(Cn3cncn3)cc(F)c12
InChIInChI=1S/C15H9F3N4/c16-9-1-2-10-12(4-9)21-15-13(10)11(17)3-8(14(15)18)5-22-7-19-6-20-22/h1-4,6-7,21H,5H2
InChIKeySSPREYNSXYGGTR-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.38
Rot. Bonds2

About 1,4,7-trifluoro-2-(1,2,4-triazol-1-ylmethyl)-9H-carbazole

1,4,7-trifluoro-2-(1,2,4-triazol-1-ylmethyl)-9H-carbazole (PubChem CID 54322529) has the molecular formula C15H9F3N4 and a molecular weight of 302.26 g/mol. Its IUPAC name is 1,4,7-trifluoro-2-(1,2,4-triazol-1-ylmethyl)-9H-carbazole.

Molecular Properties

Compound Name1,4,7-trifluoro-2-(1,2,4-triazol-1-ylmethyl)-9H-carbazole
PubChem CID54322529
Molecular FormulaC15H9F3N4
Molecular Weight302.26 g/mol
Exact Mass302.08
IUPAC Name1,4,7-trifluoro-2-(1,2,4-triazol-1-ylmethyl)-9H-carbazole
SMILESFc1ccc2c(c1)[nH]c1c(F)c(Cn3cncn3)cc(F)c12
InChIInChI=1S/C15H9F3N4/c16-9-1-2-10-12(4-9)21-15-13(10)11(17)3-8(14(15)18)5-22-7-19-6-20-22/h1-4,6-7,21H,5H2
InChIKeySSPREYNSXYGGTR-UHFFFAOYSA-N
XLogP3.38
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,7-trifluoro-2-(1,2,4-triazol-1-ylmethyl)-9H-carbazole?
The IUPAC name of 1,4,7-trifluoro-2-(1,2,4-triazol-1-ylmethyl)-9H-carbazole (CID 54322529) is 1,4,7-trifluoro-2-(1,2,4-triazol-1-ylmethyl)-9H-carbazole.
What is the SMILES notation for 1,4,7-trifluoro-2-(1,2,4-triazol-1-ylmethyl)-9H-carbazole?
The canonical SMILES for 1,4,7-trifluoro-2-(1,2,4-triazol-1-ylmethyl)-9H-carbazole is Fc1ccc2c(c1)[nH]c1c(F)c(Cn3cncn3)cc(F)c12.
What is the InChIKey of 1,4,7-trifluoro-2-(1,2,4-triazol-1-ylmethyl)-9H-carbazole?
The InChIKey is SSPREYNSXYGGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4/c16-9-1-2-10-12(4-9)21-15-13(10)11(17)3-8(14(15)18)5-22-7-19-6-20-22/h1-4,6-7,21H,5H2.
What are the key properties of 1,4,7-trifluoro-2-(1,2,4-triazol-1-ylmethyl)-9H-carbazole?
1,4,7-trifluoro-2-(1,2,4-triazol-1-ylmethyl)-9H-carbazole has a molecular weight of 302.26 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-trifluoro-2-(1,2,4-triazol-1-ylmethyl)-9H-carbazole is sourced from PubChem (CID 54322529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).