7-fluoro-3-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)-4,11-diazatricyclo[7.4.1.05,14]tetradeca-1(14),5,7,9-tetraene

C23H24FN5 — CID 71270559

IUPAC7-fluoro-3-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)-4,11-diazatricyclo[7.4.1.05,14]tetradeca-1(14),5,7,9-tetraene
SMILESCCCn1ncnc1C1C2=c3c(cc(F)cc3=CNCC2)NC1c1ccccc1
InChIInChI=1S/C23H24FN5/c1-2-10-29-23(26-14-27-29)21-18-8-9-25-13-16-11-17(24)12-19(20(16)18)28-22(21)15-6-4-3-5-7-15/h3-7,11-14,21-22,25,28H,2,8-10H2,1H3
InChIKeyLIIBOWIBONOZBC-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.66
Rot. Bonds4

About 7-fluoro-3-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)-4,11-diazatricyclo[7.4.1.05,14]tetradeca-1(14),5,7,9-tetraene

7-fluoro-3-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)-4,11-diazatricyclo[7.4.1.05,14]tetradeca-1(14),5,7,9-tetraene (PubChem CID 71270559) has the molecular formula C23H24FN5 and a molecular weight of 389.48 g/mol. Its IUPAC name is 7-fluoro-3-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)-4,11-diazatricyclo[7.4.1.05,14]tetradeca-1(14),5,7,9-tetraene.

Molecular Properties

Compound Name7-fluoro-3-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)-4,11-diazatricyclo[7.4.1.05,14]tetradeca-1(14),5,7,9-tetraene
PubChem CID71270559
Molecular FormulaC23H24FN5
Molecular Weight389.48 g/mol
Exact Mass389.20
IUPAC Name7-fluoro-3-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)-4,11-diazatricyclo[7.4.1.05,14]tetradeca-1(14),5,7,9-tetraene
SMILESCCCn1ncnc1C1C2=c3c(cc(F)cc3=CNCC2)NC1c1ccccc1
InChIInChI=1S/C23H24FN5/c1-2-10-29-23(26-14-27-29)21-18-8-9-25-13-16-11-17(24)12-19(20(16)18)28-22(21)15-6-4-3-5-7-15/h3-7,11-14,21-22,25,28H,2,8-10H2,1H3
InChIKeyLIIBOWIBONOZBC-UHFFFAOYSA-N
XLogP2.66
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-3-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)-4,11-diazatricyclo[7.4.1.05,14]tetradeca-1(14),5,7,9-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)-4,11-diazatricyclo[7.4.1.05,14]tetradeca-1(14),5,7,9-tetraene?
The IUPAC name of 7-fluoro-3-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)-4,11-diazatricyclo[7.4.1.05,14]tetradeca-1(14),5,7,9-tetraene (CID 71270559) is 7-fluoro-3-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)-4,11-diazatricyclo[7.4.1.05,14]tetradeca-1(14),5,7,9-tetraene.
What is the SMILES notation for 7-fluoro-3-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)-4,11-diazatricyclo[7.4.1.05,14]tetradeca-1(14),5,7,9-tetraene?
The canonical SMILES for 7-fluoro-3-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)-4,11-diazatricyclo[7.4.1.05,14]tetradeca-1(14),5,7,9-tetraene is CCCn1ncnc1C1C2=c3c(cc(F)cc3=CNCC2)NC1c1ccccc1.
What is the InChIKey of 7-fluoro-3-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)-4,11-diazatricyclo[7.4.1.05,14]tetradeca-1(14),5,7,9-tetraene?
The InChIKey is LIIBOWIBONOZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5/c1-2-10-29-23(26-14-27-29)21-18-8-9-25-13-16-11-17(24)12-19(20(16)18)28-22(21)15-6-4-3-5-7-15/h3-7,11-14,21-22,25,28H,2,8-10H2,1H3.
What are the key properties of 7-fluoro-3-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)-4,11-diazatricyclo[7.4.1.05,14]tetradeca-1(14),5,7,9-tetraene?
7-fluoro-3-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)-4,11-diazatricyclo[7.4.1.05,14]tetradeca-1(14),5,7,9-tetraene has a molecular weight of 389.48 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)-4,11-diazatricyclo[7.4.1.05,14]tetradeca-1(14),5,7,9-tetraene is sourced from PubChem (CID 71270559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).