5-(methylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one

C11H17N3O2 — CID 103218678

IUPAC5-(methylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
SMILESCNc1cnn(CC2CCOCC2)c(=O)c1
InChIInChI=1S/C11H17N3O2/c1-12-10-6-11(15)14(13-7-10)8-9-2-4-16-5-3-9/h6-7,9,12H,2-5,8H2,1H3
InChIKeyLDHZWARRMCHCMN-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.71
Rot. Bonds3

About 5-(methylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one

5-(methylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one (PubChem CID 103218678) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(methylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(methylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
PubChem CID103218678
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-(methylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
SMILESCNc1cnn(CC2CCOCC2)c(=O)c1
InChIInChI=1S/C11H17N3O2/c1-12-10-6-11(15)14(13-7-10)8-9-2-4-16-5-3-9/h6-7,9,12H,2-5,8H2,1H3
InChIKeyLDHZWARRMCHCMN-UHFFFAOYSA-N
XLogP0.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethoxypropyl)-1-(6-oxo-1-propyl-1,6-dihydropyridazin-4-yl)piperidine-4-carboxamide
CID 53202164
N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]oxane-4-carboxamide
CID 91924033
2-(Oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one
CID 168963474
N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202092
5-Amino-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103218363
2-(4-Methoxybutyl)-5-(methylamino)pyridazin-3-one
CID 103218482
2-(2-Ethylbutyl)-5-(methylamino)pyridazin-3-one
CID 103218589
5-(Ethylamino)-2-(4-methoxybutyl)pyridazin-3-one
CID 103218879
5-(Ethylamino)-2-(2-ethylbutyl)pyridazin-3-one
CID 103219028
5-(Ethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103219120
5-(Ethylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one
CID 103219174
2-(4-Methoxybutyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 103219312

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-(methylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one (CID 103218678) is 5-(methylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-(methylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-(methylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one is CNc1cnn(CC2CCOCC2)c(=O)c1.
What is the InChIKey of 5-(methylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one?
The InChIKey is LDHZWARRMCHCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-12-10-6-11(15)14(13-7-10)8-9-2-4-16-5-3-9/h6-7,9,12H,2-5,8H2,1H3.
What are the key properties of 5-(methylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one?
5-(methylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one has a molecular weight of 223.28 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 103218678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).