2-[[8-(2-methoxyacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one

C15H19N5O3 — CID 118739341

IUPAC2-[[8-(2-methoxyacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one
SMILESCOCC(=O)N1Cc2nccn2CC(Cn2ncccc2=O)C1
InChIInChI=1S/C15H19N5O3/c1-23-11-15(22)19-8-12(7-18-6-5-16-13(18)10-19)9-20-14(21)3-2-4-17-20/h2-6,12H,7-11H2,1H3
InChIKeyLQIPKLWCRVLSSJ-UHFFFAOYSA-N
MW317.35 g/mol
LogP-0.26
Rot. Bonds4

About 2-[[8-(2-methoxyacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one

2-[[8-(2-methoxyacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one (PubChem CID 118739341) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[[8-(2-methoxyacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[8-(2-methoxyacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one
PubChem CID118739341
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name2-[[8-(2-methoxyacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one
SMILESCOCC(=O)N1Cc2nccn2CC(Cn2ncccc2=O)C1
InChIInChI=1S/C15H19N5O3/c1-23-11-15(22)19-8-12(7-18-6-5-16-13(18)10-19)9-20-14(21)3-2-4-17-20/h2-6,12H,7-11H2,1H3
InChIKeyLQIPKLWCRVLSSJ-UHFFFAOYSA-N
XLogP-0.26
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[8-(2-methoxyacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[8-(2-methoxyacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one (CID 118739341) is 2-[[8-(2-methoxyacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[8-(2-methoxyacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[8-(2-methoxyacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one is COCC(=O)N1Cc2nccn2CC(Cn2ncccc2=O)C1.
What is the InChIKey of 2-[[8-(2-methoxyacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one?
The InChIKey is LQIPKLWCRVLSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-23-11-15(22)19-8-12(7-18-6-5-16-13(18)10-19)9-20-14(21)3-2-4-17-20/h2-6,12H,7-11H2,1H3.
What are the key properties of 2-[[8-(2-methoxyacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one?
2-[[8-(2-methoxyacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one has a molecular weight of 317.35 g/mol, XLogP of -0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(2-methoxyacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 118739341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).