2-methyl-4-morpholin-4-ylpyridazin-3-one

C9H13N3O2 — CID 12550767

IUPAC2-methyl-4-morpholin-4-ylpyridazin-3-one
SMILESCn1nccc(N2CCOCC2)c1=O
InChIInChI=1S/C9H13N3O2/c1-11-9(13)8(2-3-10-11)12-4-6-14-7-5-12/h2-3H,4-7H2,1H3
InChIKeyUVNLMDRCEKXSJN-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.38
Rot. Bonds1

About 2-methyl-4-morpholin-4-ylpyridazin-3-one

2-methyl-4-morpholin-4-ylpyridazin-3-one (PubChem CID 12550767) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-methyl-4-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-methyl-4-morpholin-4-ylpyridazin-3-one
PubChem CID12550767
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-methyl-4-morpholin-4-ylpyridazin-3-one
SMILESCn1nccc(N2CCOCC2)c1=O
InChIInChI=1S/C9H13N3O2/c1-11-9(13)8(2-3-10-11)12-4-6-14-7-5-12/h2-3H,4-7H2,1H3
InChIKeyUVNLMDRCEKXSJN-UHFFFAOYSA-N
XLogP-0.38
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-methyl-4-morpholin-4-ylpyridazin-3-one (CID 12550767) is 2-methyl-4-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-methyl-4-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-methyl-4-morpholin-4-ylpyridazin-3-one is Cn1nccc(N2CCOCC2)c1=O.
What is the InChIKey of 2-methyl-4-morpholin-4-ylpyridazin-3-one?
The InChIKey is UVNLMDRCEKXSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-11-9(13)8(2-3-10-11)12-4-6-14-7-5-12/h2-3H,4-7H2,1H3.
What are the key properties of 2-methyl-4-morpholin-4-ylpyridazin-3-one?
2-methyl-4-morpholin-4-ylpyridazin-3-one has a molecular weight of 195.22 g/mol, XLogP of -0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 12550767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).