2-cyclopentyl-5-ethyl-7-(1-methylcyclohexyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one

C19H28N4O — CID 135752707

IUPAC2-cyclopentyl-5-ethyl-7-(1-methylcyclohexyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCc1nc(C2(C)CCCCC2)n2nc(C3CCCC3)[nH]c(=O)c12
InChIInChI=1S/C19H28N4O/c1-3-14-15-17(24)21-16(13-9-5-6-10-13)22-23(15)18(20-14)19(2)11-7-4-8-12-19/h13H,3-12H2,1-2H3,(H,21,22,24)
InChIKeyMSCPHUYKMSXHLW-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.86
Rot. Bonds3

About 2-cyclopentyl-5-ethyl-7-(1-methylcyclohexyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one

2-cyclopentyl-5-ethyl-7-(1-methylcyclohexyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 135752707) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-cyclopentyl-5-ethyl-7-(1-methylcyclohexyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-cyclopentyl-5-ethyl-7-(1-methylcyclohexyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID135752707
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name2-cyclopentyl-5-ethyl-7-(1-methylcyclohexyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCc1nc(C2(C)CCCCC2)n2nc(C3CCCC3)[nH]c(=O)c12
InChIInChI=1S/C19H28N4O/c1-3-14-15-17(24)21-16(13-9-5-6-10-13)22-23(15)18(20-14)19(2)11-7-4-8-12-19/h13H,3-12H2,1-2H3,(H,21,22,24)
InChIKeyMSCPHUYKMSXHLW-UHFFFAOYSA-N
XLogP3.86
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentyl-5-ethyl-7-(1-methylcyclohexyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one with MolForge

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Related Compounds

2-cyclopentyl-5-ethyl-7-heptan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135752632
benzyl 4-(2-cyclopentyl-5-ethyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate
CID 135752579
7-cyclopentyl-5-ethyl-2-pyrazin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135788028
2-(4-bromophenyl)-7-cyclopentyl-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135752606
2-cyclopentyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63612445
7-cyclopentyl-2-(1,5-dimethylpyrrol-2-yl)-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135787964
5-cyclopentyl-4-hydroxy-2-(1-methylcyclopropyl)-1H-pyrimidin-6-one
CID 112569367
2-(3-bromothiophen-2-yl)-7-cyclopentyl-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135787962
7-cyclopentyl-5-ethyl-2-isoquinolin-1-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135788021
7-(1-adamantyl)-5-ethyl-2-thiophen-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135787979
5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 112569358
4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine
CID 55177966

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-ethyl-7-(1-methylcyclohexyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-cyclopentyl-5-ethyl-7-(1-methylcyclohexyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one (CID 135752707) is 2-cyclopentyl-5-ethyl-7-(1-methylcyclohexyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-cyclopentyl-5-ethyl-7-(1-methylcyclohexyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-cyclopentyl-5-ethyl-7-(1-methylcyclohexyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one is CCc1nc(C2(C)CCCCC2)n2nc(C3CCCC3)[nH]c(=O)c12.
What is the InChIKey of 2-cyclopentyl-5-ethyl-7-(1-methylcyclohexyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is MSCPHUYKMSXHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-3-14-15-17(24)21-16(13-9-5-6-10-13)22-23(15)18(20-14)19(2)11-7-4-8-12-19/h13H,3-12H2,1-2H3,(H,21,22,24).
What are the key properties of 2-cyclopentyl-5-ethyl-7-(1-methylcyclohexyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
2-cyclopentyl-5-ethyl-7-(1-methylcyclohexyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 328.46 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-ethyl-7-(1-methylcyclohexyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135752707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).