2-[2-(1-methoxypropan-2-ylamino)ethyl]-6-methylpyridazin-3-one

C11H19N3O2 — CID 62924970

IUPAC2-[2-(1-methoxypropan-2-ylamino)ethyl]-6-methylpyridazin-3-one
SMILESCOCC(C)NCCn1nc(C)ccc1=O
InChIInChI=1S/C11H19N3O2/c1-9-4-5-11(15)14(13-9)7-6-12-10(2)8-16-3/h4-5,10,12H,6-8H2,1-3H3
InChIKeyKJTTUNWVIUUPPQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.18
Rot. Bonds6

About 2-[2-(1-methoxypropan-2-ylamino)ethyl]-6-methylpyridazin-3-one

2-[2-(1-methoxypropan-2-ylamino)ethyl]-6-methylpyridazin-3-one (PubChem CID 62924970) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[2-(1-methoxypropan-2-ylamino)ethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(1-methoxypropan-2-ylamino)ethyl]-6-methylpyridazin-3-one
PubChem CID62924970
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[2-(1-methoxypropan-2-ylamino)ethyl]-6-methylpyridazin-3-one
SMILESCOCC(C)NCCn1nc(C)ccc1=O
InChIInChI=1S/C11H19N3O2/c1-9-4-5-11(15)14(13-9)7-6-12-10(2)8-16-3/h4-5,10,12H,6-8H2,1-3H3
InChIKeyKJTTUNWVIUUPPQ-UHFFFAOYSA-N
XLogP0.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methoxypropan-2-ylamino)ethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-(1-methoxypropan-2-ylamino)ethyl]-6-methylpyridazin-3-one (CID 62924970) is 2-[2-(1-methoxypropan-2-ylamino)ethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(1-methoxypropan-2-ylamino)ethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(1-methoxypropan-2-ylamino)ethyl]-6-methylpyridazin-3-one is COCC(C)NCCn1nc(C)ccc1=O.
What is the InChIKey of 2-[2-(1-methoxypropan-2-ylamino)ethyl]-6-methylpyridazin-3-one?
The InChIKey is KJTTUNWVIUUPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9-4-5-11(15)14(13-9)7-6-12-10(2)8-16-3/h4-5,10,12H,6-8H2,1-3H3.
What are the key properties of 2-[2-(1-methoxypropan-2-ylamino)ethyl]-6-methylpyridazin-3-one?
2-[2-(1-methoxypropan-2-ylamino)ethyl]-6-methylpyridazin-3-one has a molecular weight of 225.29 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methoxypropan-2-ylamino)ethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 62924970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).