6-(4-ethylcyclohexen-1-yl)-2-[2-oxo-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propyl]pyridazin-3-one

C21H23N5O2 — CID 167615461

IUPAC6-(4-ethylcyclohexen-1-yl)-2-[2-oxo-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propyl]pyridazin-3-one
SMILESCCC1CC=C(c2ccc(=O)n(CC(=O)Cc3ccc4ncnn4c3)n2)CC1
InChIInChI=1S/C21H23N5O2/c1-2-15-3-6-17(7-4-15)19-8-10-21(28)26(24-19)13-18(27)11-16-5-9-20-22-14-23-25(20)12-16/h5-6,8-10,12,14-15H,2-4,7,11,13H2,1H3
InChIKeyLRDLWXAGLTZTFP-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.69
Rot. Bonds6

About 6-(4-ethylcyclohexen-1-yl)-2-[2-oxo-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propyl]pyridazin-3-one

6-(4-ethylcyclohexen-1-yl)-2-[2-oxo-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propyl]pyridazin-3-one (PubChem CID 167615461) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 6-(4-ethylcyclohexen-1-yl)-2-[2-oxo-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-ethylcyclohexen-1-yl)-2-[2-oxo-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propyl]pyridazin-3-one
PubChem CID167615461
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name6-(4-ethylcyclohexen-1-yl)-2-[2-oxo-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propyl]pyridazin-3-one
SMILESCCC1CC=C(c2ccc(=O)n(CC(=O)Cc3ccc4ncnn4c3)n2)CC1
InChIInChI=1S/C21H23N5O2/c1-2-15-3-6-17(7-4-15)19-8-10-21(28)26(24-19)13-18(27)11-16-5-9-20-22-14-23-25(20)12-16/h5-6,8-10,12,14-15H,2-4,7,11,13H2,1H3
InChIKeyLRDLWXAGLTZTFP-UHFFFAOYSA-N
XLogP2.69
TPSA82.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylcyclohexen-1-yl)-2-[2-oxo-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propyl]pyridazin-3-one?
The IUPAC name of 6-(4-ethylcyclohexen-1-yl)-2-[2-oxo-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propyl]pyridazin-3-one (CID 167615461) is 6-(4-ethylcyclohexen-1-yl)-2-[2-oxo-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-ethylcyclohexen-1-yl)-2-[2-oxo-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propyl]pyridazin-3-one?
The canonical SMILES for 6-(4-ethylcyclohexen-1-yl)-2-[2-oxo-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propyl]pyridazin-3-one is CCC1CC=C(c2ccc(=O)n(CC(=O)Cc3ccc4ncnn4c3)n2)CC1.
What is the InChIKey of 6-(4-ethylcyclohexen-1-yl)-2-[2-oxo-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propyl]pyridazin-3-one?
The InChIKey is LRDLWXAGLTZTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-2-15-3-6-17(7-4-15)19-8-10-21(28)26(24-19)13-18(27)11-16-5-9-20-22-14-23-25(20)12-16/h5-6,8-10,12,14-15H,2-4,7,11,13H2,1H3.
What are the key properties of 6-(4-ethylcyclohexen-1-yl)-2-[2-oxo-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propyl]pyridazin-3-one?
6-(4-ethylcyclohexen-1-yl)-2-[2-oxo-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propyl]pyridazin-3-one has a molecular weight of 377.45 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylcyclohexen-1-yl)-2-[2-oxo-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)propyl]pyridazin-3-one is sourced from PubChem (CID 167615461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).