2-[3-(ethylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one

C10H17N3O3 — CID 105061738

IUPAC2-[3-(ethylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one
SMILESCCNCC(O)Cn1nc(OC)ccc1=O
InChIInChI=1S/C10H17N3O3/c1-3-11-6-8(14)7-13-10(15)5-4-9(12-13)16-2/h4-5,8,11,14H,3,6-7H2,1-2H3
InChIKeyXEOBZXJMLBCKDY-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.78
Rot. Bonds6

About 2-[3-(ethylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one

2-[3-(ethylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one (PubChem CID 105061738) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[3-(ethylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[3-(ethylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one
PubChem CID105061738
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-[3-(ethylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one
SMILESCCNCC(O)Cn1nc(OC)ccc1=O
InChIInChI=1S/C10H17N3O3/c1-3-11-6-8(14)7-13-10(15)5-4-9(12-13)16-2/h4-5,8,11,14H,3,6-7H2,1-2H3
InChIKeyXEOBZXJMLBCKDY-UHFFFAOYSA-N
XLogP-0.78
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[3-(ethylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one (CID 105061738) is 2-[3-(ethylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[3-(ethylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[3-(ethylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one is CCNCC(O)Cn1nc(OC)ccc1=O.
What is the InChIKey of 2-[3-(ethylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one?
The InChIKey is XEOBZXJMLBCKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-3-11-6-8(14)7-13-10(15)5-4-9(12-13)16-2/h4-5,8,11,14H,3,6-7H2,1-2H3.
What are the key properties of 2-[3-(ethylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one?
2-[3-(ethylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one has a molecular weight of 227.26 g/mol, XLogP of -0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).