2-[2-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyridazin-3-one

C16H18N6O3 — CID 86264622

IUPAC2-[2-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C16H18N6O3/c23-14-2-1-3-18-22(14)11-15(24)21-9-12-8-17-16(19-13(12)10-21)20-4-6-25-7-5-20/h1-3,8H,4-7,9-11H2
InChIKeyMHVAJCLFNWBDRE-UHFFFAOYSA-N
MW342.36 g/mol
LogP-0.59
Rot. Bonds3

About 2-[2-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyridazin-3-one

2-[2-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyridazin-3-one (PubChem CID 86264622) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-[2-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyridazin-3-one
PubChem CID86264622
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name2-[2-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C16H18N6O3/c23-14-2-1-3-18-22(14)11-15(24)21-9-12-8-17-16(19-13(12)10-21)20-4-6-25-7-5-20/h1-3,8H,4-7,9-11H2
InChIKeyMHVAJCLFNWBDRE-UHFFFAOYSA-N
XLogP-0.59
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyridazin-3-one (CID 86264622) is 2-[2-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyridazin-3-one is O=C(Cn1ncccc1=O)N1Cc2cnc(N3CCOCC3)nc2C1.
What is the InChIKey of 2-[2-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is MHVAJCLFNWBDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c23-14-2-1-3-18-22(14)11-15(24)21-9-12-8-17-16(19-13(12)10-21)20-4-6-25-7-5-20/h1-3,8H,4-7,9-11H2.
What are the key properties of 2-[2-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyridazin-3-one?
2-[2-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 342.36 g/mol, XLogP of -0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 86264622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).