3-amino-2-methyl-7-morpholin-4-ylpyrimido[1,2-b]pyridazin-4-one

C12H15N5O2 — CID 82090462

IUPAC3-amino-2-methyl-7-morpholin-4-ylpyrimido[1,2-b]pyridazin-4-one
SMILESCc1nc2ccc(N3CCOCC3)nn2c(=O)c1N
InChIInChI=1S/C12H15N5O2/c1-8-11(13)12(18)17-9(14-8)2-3-10(15-17)16-4-6-19-7-5-16/h2-3H,4-7,13H2,1H3
InChIKeyCUJRHZLYBQXVBP-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.18
Rot. Bonds1

About 3-amino-2-methyl-7-morpholin-4-ylpyrimido[1,2-b]pyridazin-4-one

3-amino-2-methyl-7-morpholin-4-ylpyrimido[1,2-b]pyridazin-4-one (PubChem CID 82090462) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-amino-2-methyl-7-morpholin-4-ylpyrimido[1,2-b]pyridazin-4-one.

Molecular Properties

Compound Name3-amino-2-methyl-7-morpholin-4-ylpyrimido[1,2-b]pyridazin-4-one
PubChem CID82090462
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name3-amino-2-methyl-7-morpholin-4-ylpyrimido[1,2-b]pyridazin-4-one
SMILESCc1nc2ccc(N3CCOCC3)nn2c(=O)c1N
InChIInChI=1S/C12H15N5O2/c1-8-11(13)12(18)17-9(14-8)2-3-10(15-17)16-4-6-19-7-5-16/h2-3H,4-7,13H2,1H3
InChIKeyCUJRHZLYBQXVBP-UHFFFAOYSA-N
XLogP-0.18
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 15107884
6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
CID 12606975
6-morpholin-4-yl-2-phenylimidazo[1,2-b]pyridazine-3-carboxylic acid
CID 156641443
(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine
CID 13134095
2-methyl-6-morpholin-4-ylpyridine-3-carbaldehyde
CID 102544177
4-[2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146074635
2-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 67287742
N-tert-butyl-6-morpholin-4-yl-2-phenylimidazo[1,2-b]pyridazin-3-amine
CID 135018214
4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
CID 155981001
3-ethyl-2-methyl-6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine
CID 91493052
N-(6-methyl-2-pyridinyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904087
6-[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 163348814

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-7-morpholin-4-ylpyrimido[1,2-b]pyridazin-4-one?
The IUPAC name of 3-amino-2-methyl-7-morpholin-4-ylpyrimido[1,2-b]pyridazin-4-one (CID 82090462) is 3-amino-2-methyl-7-morpholin-4-ylpyrimido[1,2-b]pyridazin-4-one.
What is the SMILES notation for 3-amino-2-methyl-7-morpholin-4-ylpyrimido[1,2-b]pyridazin-4-one?
The canonical SMILES for 3-amino-2-methyl-7-morpholin-4-ylpyrimido[1,2-b]pyridazin-4-one is Cc1nc2ccc(N3CCOCC3)nn2c(=O)c1N.
What is the InChIKey of 3-amino-2-methyl-7-morpholin-4-ylpyrimido[1,2-b]pyridazin-4-one?
The InChIKey is CUJRHZLYBQXVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-11(13)12(18)17-9(14-8)2-3-10(15-17)16-4-6-19-7-5-16/h2-3H,4-7,13H2,1H3.
What are the key properties of 3-amino-2-methyl-7-morpholin-4-ylpyrimido[1,2-b]pyridazin-4-one?
3-amino-2-methyl-7-morpholin-4-ylpyrimido[1,2-b]pyridazin-4-one has a molecular weight of 261.28 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-7-morpholin-4-ylpyrimido[1,2-b]pyridazin-4-one is sourced from PubChem (CID 82090462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).