2-cyclopentyl-5-ethyl-7-heptan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

C19H30N4O — CID 135752632

IUPAC2-cyclopentyl-5-ethyl-7-heptan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCCCC(CC)c1nc(CC)c2c(=O)[nH]c(C3CCCC3)nn12
InChIInChI=1S/C19H30N4O/c1-4-7-10-13(5-2)18-20-15(6-3)16-19(24)21-17(22-23(16)18)14-11-8-9-12-14/h13-14H,4-12H2,1-3H3,(H,21,22,24)
InChIKeyCHZQKGXWGMMTLA-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.32
Rot. Bonds7

About 2-cyclopentyl-5-ethyl-7-heptan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

2-cyclopentyl-5-ethyl-7-heptan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 135752632) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-cyclopentyl-5-ethyl-7-heptan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-cyclopentyl-5-ethyl-7-heptan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID135752632
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name2-cyclopentyl-5-ethyl-7-heptan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCCCC(CC)c1nc(CC)c2c(=O)[nH]c(C3CCCC3)nn12
InChIInChI=1S/C19H30N4O/c1-4-7-10-13(5-2)18-20-15(6-3)16-19(24)21-17(22-23(16)18)14-11-8-9-12-14/h13-14H,4-12H2,1-3H3,(H,21,22,24)
InChIKeyCHZQKGXWGMMTLA-UHFFFAOYSA-N
XLogP4.32
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-ethyl-7-heptan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-cyclopentyl-5-ethyl-7-heptan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (CID 135752632) is 2-cyclopentyl-5-ethyl-7-heptan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-cyclopentyl-5-ethyl-7-heptan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-cyclopentyl-5-ethyl-7-heptan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is CCCCC(CC)c1nc(CC)c2c(=O)[nH]c(C3CCCC3)nn12.
What is the InChIKey of 2-cyclopentyl-5-ethyl-7-heptan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is CHZQKGXWGMMTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-4-7-10-13(5-2)18-20-15(6-3)16-19(24)21-17(22-23(16)18)14-11-8-9-12-14/h13-14H,4-12H2,1-3H3,(H,21,22,24).
What are the key properties of 2-cyclopentyl-5-ethyl-7-heptan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
2-cyclopentyl-5-ethyl-7-heptan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 330.48 g/mol, XLogP of 4.32, 7 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-heptan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135752632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).