5-[2-aminoethyl(methyl)amino]-2-(2-hydroxypropyl)pyridazin-3-one

C10H18N4O2 — CID 103223473

IUPAC5-[2-aminoethyl(methyl)amino]-2-(2-hydroxypropyl)pyridazin-3-one
SMILESCC(O)Cn1ncc(N(C)CCN)cc1=O
InChIInChI=1S/C10H18N4O2/c1-8(15)7-14-10(16)5-9(6-12-14)13(2)4-3-11/h5-6,8,15H,3-4,7,11H2,1-2H3
InChIKeyPNUAHWXVOVIPJL-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.98
Rot. Bonds5

About 5-[2-aminoethyl(methyl)amino]-2-(2-hydroxypropyl)pyridazin-3-one

5-[2-aminoethyl(methyl)amino]-2-(2-hydroxypropyl)pyridazin-3-one (PubChem CID 103223473) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-[2-aminoethyl(methyl)amino]-2-(2-hydroxypropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[2-aminoethyl(methyl)amino]-2-(2-hydroxypropyl)pyridazin-3-one
PubChem CID103223473
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-[2-aminoethyl(methyl)amino]-2-(2-hydroxypropyl)pyridazin-3-one
SMILESCC(O)Cn1ncc(N(C)CCN)cc1=O
InChIInChI=1S/C10H18N4O2/c1-8(15)7-14-10(16)5-9(6-12-14)13(2)4-3-11/h5-6,8,15H,3-4,7,11H2,1-2H3
InChIKeyPNUAHWXVOVIPJL-UHFFFAOYSA-N
XLogP-0.98
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-(2-hydroxypropyl)pyridazin-3-one?
The IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-(2-hydroxypropyl)pyridazin-3-one (CID 103223473) is 5-[2-aminoethyl(methyl)amino]-2-(2-hydroxypropyl)pyridazin-3-one.
What is the SMILES notation for 5-[2-aminoethyl(methyl)amino]-2-(2-hydroxypropyl)pyridazin-3-one?
The canonical SMILES for 5-[2-aminoethyl(methyl)amino]-2-(2-hydroxypropyl)pyridazin-3-one is CC(O)Cn1ncc(N(C)CCN)cc1=O.
What is the InChIKey of 5-[2-aminoethyl(methyl)amino]-2-(2-hydroxypropyl)pyridazin-3-one?
The InChIKey is PNUAHWXVOVIPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-8(15)7-14-10(16)5-9(6-12-14)13(2)4-3-11/h5-6,8,15H,3-4,7,11H2,1-2H3.
What are the key properties of 5-[2-aminoethyl(methyl)amino]-2-(2-hydroxypropyl)pyridazin-3-one?
5-[2-aminoethyl(methyl)amino]-2-(2-hydroxypropyl)pyridazin-3-one has a molecular weight of 226.28 g/mol, XLogP of -0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-aminoethyl(methyl)amino]-2-(2-hydroxypropyl)pyridazin-3-one is sourced from PubChem (CID 103223473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).