2-[3-(ethylamino)-2-hydroxypropyl]-5-methylpyridazin-3-one

C10H17N3O2 — CID 106548641

IUPAC2-[3-(ethylamino)-2-hydroxypropyl]-5-methylpyridazin-3-one
SMILESCCNCC(O)Cn1ncc(C)cc1=O
InChIInChI=1S/C10H17N3O2/c1-3-11-6-9(14)7-13-10(15)4-8(2)5-12-13/h4-5,9,11,14H,3,6-7H2,1-2H3
InChIKeyFNBKBKPHXARLFY-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.48
Rot. Bonds5

About 2-[3-(ethylamino)-2-hydroxypropyl]-5-methylpyridazin-3-one

2-[3-(ethylamino)-2-hydroxypropyl]-5-methylpyridazin-3-one (PubChem CID 106548641) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[3-(ethylamino)-2-hydroxypropyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[3-(ethylamino)-2-hydroxypropyl]-5-methylpyridazin-3-one
PubChem CID106548641
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[3-(ethylamino)-2-hydroxypropyl]-5-methylpyridazin-3-one
SMILESCCNCC(O)Cn1ncc(C)cc1=O
InChIInChI=1S/C10H17N3O2/c1-3-11-6-9(14)7-13-10(15)4-8(2)5-12-13/h4-5,9,11,14H,3,6-7H2,1-2H3
InChIKeyFNBKBKPHXARLFY-UHFFFAOYSA-N
XLogP-0.48
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)-2-hydroxypropyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[3-(ethylamino)-2-hydroxypropyl]-5-methylpyridazin-3-one (CID 106548641) is 2-[3-(ethylamino)-2-hydroxypropyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[3-(ethylamino)-2-hydroxypropyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[3-(ethylamino)-2-hydroxypropyl]-5-methylpyridazin-3-one is CCNCC(O)Cn1ncc(C)cc1=O.
What is the InChIKey of 2-[3-(ethylamino)-2-hydroxypropyl]-5-methylpyridazin-3-one?
The InChIKey is FNBKBKPHXARLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-11-6-9(14)7-13-10(15)4-8(2)5-12-13/h4-5,9,11,14H,3,6-7H2,1-2H3.
What are the key properties of 2-[3-(ethylamino)-2-hydroxypropyl]-5-methylpyridazin-3-one?
2-[3-(ethylamino)-2-hydroxypropyl]-5-methylpyridazin-3-one has a molecular weight of 211.26 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)-2-hydroxypropyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).