5-ethyl-7-fluoro-7-methyl-10-propan-2-yl-3,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,11,13-pentaene

C18H24FN3 — CID 178052340

IUPAC5-ethyl-7-fluoro-7-methyl-10-propan-2-yl-3,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,11,13-pentaene
SMILESCCn1nnc2c1C(C)(F)CCC(C(C)C)c1ccccc1-2
InChIInChI=1S/C18H24FN3/c1-5-22-17-16(20-21-22)15-9-7-6-8-14(15)13(12(2)3)10-11-18(17,4)19/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyLUFBNDBYDAXZDR-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.68
Rot. Bonds2

About 5-ethyl-7-fluoro-7-methyl-10-propan-2-yl-3,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,11,13-pentaene

5-ethyl-7-fluoro-7-methyl-10-propan-2-yl-3,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,11,13-pentaene (PubChem CID 178052340) has the molecular formula C18H24FN3 and a molecular weight of 301.41 g/mol. Its IUPAC name is 5-ethyl-7-fluoro-7-methyl-10-propan-2-yl-3,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,11,13-pentaene.

Molecular Properties

Compound Name5-ethyl-7-fluoro-7-methyl-10-propan-2-yl-3,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,11,13-pentaene
PubChem CID178052340
Molecular FormulaC18H24FN3
Molecular Weight301.41 g/mol
Exact Mass301.20
IUPAC Name5-ethyl-7-fluoro-7-methyl-10-propan-2-yl-3,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,11,13-pentaene
SMILESCCn1nnc2c1C(C)(F)CCC(C(C)C)c1ccccc1-2
InChIInChI=1S/C18H24FN3/c1-5-22-17-16(20-21-22)15-9-7-6-8-14(15)13(12(2)3)10-11-18(17,4)19/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyLUFBNDBYDAXZDR-UHFFFAOYSA-N
XLogP4.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-fluoro-7-methyl-10-propan-2-yl-3,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,11,13-pentaene?
The IUPAC name of 5-ethyl-7-fluoro-7-methyl-10-propan-2-yl-3,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,11,13-pentaene (CID 178052340) is 5-ethyl-7-fluoro-7-methyl-10-propan-2-yl-3,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,11,13-pentaene.
What is the SMILES notation for 5-ethyl-7-fluoro-7-methyl-10-propan-2-yl-3,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,11,13-pentaene?
The canonical SMILES for 5-ethyl-7-fluoro-7-methyl-10-propan-2-yl-3,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,11,13-pentaene is CCn1nnc2c1C(C)(F)CCC(C(C)C)c1ccccc1-2.
What is the InChIKey of 5-ethyl-7-fluoro-7-methyl-10-propan-2-yl-3,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,11,13-pentaene?
The InChIKey is LUFBNDBYDAXZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3/c1-5-22-17-16(20-21-22)15-9-7-6-8-14(15)13(12(2)3)10-11-18(17,4)19/h6-9,12-13H,5,10-11H2,1-4H3.
What are the key properties of 5-ethyl-7-fluoro-7-methyl-10-propan-2-yl-3,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,11,13-pentaene?
5-ethyl-7-fluoro-7-methyl-10-propan-2-yl-3,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,11,13-pentaene has a molecular weight of 301.41 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-fluoro-7-methyl-10-propan-2-yl-3,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,11,13-pentaene is sourced from PubChem (CID 178052340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).