5-ethyl-2-naphthalen-1-yl-7-[4-(trifluoromethyl)cyclohexyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one

C24H23F3N4O — CID 135752661

IUPAC5-ethyl-2-naphthalen-1-yl-7-[4-(trifluoromethyl)cyclohexyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCc1nc(C2CCC(C(F)(F)F)CC2)n2nc(-c3cccc4ccccc34)[nH]c(=O)c12
InChIInChI=1S/C24H23F3N4O/c1-2-19-20-23(32)29-21(18-9-5-7-14-6-3-4-8-17(14)18)30-31(20)22(28-19)15-10-12-16(13-11-15)24(25,26)27/h3-9,15-16H,2,10-13H2,1H3,(H,29,30,32)
InChIKeyQASHUCZGOXMPKR-UHFFFAOYSA-N
MW440.47 g/mol
LogP5.64
Rot. Bonds3

About 5-ethyl-2-naphthalen-1-yl-7-[4-(trifluoromethyl)cyclohexyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one

5-ethyl-2-naphthalen-1-yl-7-[4-(trifluoromethyl)cyclohexyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 135752661) has the molecular formula C24H23F3N4O and a molecular weight of 440.47 g/mol. Its IUPAC name is 5-ethyl-2-naphthalen-1-yl-7-[4-(trifluoromethyl)cyclohexyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name5-ethyl-2-naphthalen-1-yl-7-[4-(trifluoromethyl)cyclohexyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID135752661
Molecular FormulaC24H23F3N4O
Molecular Weight440.47 g/mol
Exact Mass440.18
IUPAC Name5-ethyl-2-naphthalen-1-yl-7-[4-(trifluoromethyl)cyclohexyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCc1nc(C2CCC(C(F)(F)F)CC2)n2nc(-c3cccc4ccccc34)[nH]c(=O)c12
InChIInChI=1S/C24H23F3N4O/c1-2-19-20-23(32)29-21(18-9-5-7-14-6-3-4-8-17(14)18)30-31(20)22(28-19)15-10-12-16(13-11-15)24(25,26)27/h3-9,15-16H,2,10-13H2,1H3,(H,29,30,32)
InChIKeyQASHUCZGOXMPKR-UHFFFAOYSA-N
XLogP5.64
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.47
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-naphthalen-1-yl-7-[4-(trifluoromethyl)cyclohexyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 5-ethyl-2-naphthalen-1-yl-7-[4-(trifluoromethyl)cyclohexyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one (CID 135752661) is 5-ethyl-2-naphthalen-1-yl-7-[4-(trifluoromethyl)cyclohexyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 5-ethyl-2-naphthalen-1-yl-7-[4-(trifluoromethyl)cyclohexyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 5-ethyl-2-naphthalen-1-yl-7-[4-(trifluoromethyl)cyclohexyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one is CCc1nc(C2CCC(C(F)(F)F)CC2)n2nc(-c3cccc4ccccc34)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-naphthalen-1-yl-7-[4-(trifluoromethyl)cyclohexyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is QASHUCZGOXMPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O/c1-2-19-20-23(32)29-21(18-9-5-7-14-6-3-4-8-17(14)18)30-31(20)22(28-19)15-10-12-16(13-11-15)24(25,26)27/h3-9,15-16H,2,10-13H2,1H3,(H,29,30,32).
What are the key properties of 5-ethyl-2-naphthalen-1-yl-7-[4-(trifluoromethyl)cyclohexyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
5-ethyl-2-naphthalen-1-yl-7-[4-(trifluoromethyl)cyclohexyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 440.47 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-naphthalen-1-yl-7-[4-(trifluoromethyl)cyclohexyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135752661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).