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

C12H22N4O2 — CID 103223479

IUPAC5-[2-aminoethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
SMILESCN(CCN)c1cnn(CCC(C)(C)O)c(=O)c1
InChIInChI=1S/C12H22N4O2/c1-12(2,18)4-6-16-11(17)8-10(9-14-16)15(3)7-5-13/h8-9,18H,4-7,13H2,1-3H3
InChIKeyNAIXSAHCQSWOKR-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.20
Rot. Bonds6

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

5-[2-aminoethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one (PubChem CID 103223479) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-[2-aminoethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[2-aminoethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
PubChem CID103223479
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name5-[2-aminoethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
SMILESCN(CCN)c1cnn(CCC(C)(C)O)c(=O)c1
InChIInChI=1S/C12H22N4O2/c1-12(2,18)4-6-16-11(17)8-10(9-14-16)15(3)7-5-13/h8-9,18H,4-7,13H2,1-3H3
InChIKeyNAIXSAHCQSWOKR-UHFFFAOYSA-N
XLogP-0.20
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-Amino-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
CID 103218372
2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutyl)acetamide
CID 103218399
5-Amino-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
CID 103218417
2-(3-Hydroxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one
CID 103218690
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide
CID 103218738
2-(3-Methoxy-3-methylbutyl)-5-(methylamino)pyridazin-3-one
CID 103218770
5-(Ethylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
CID 103219135
2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide
CID 103219172
5-(Ethylamino)-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
CID 103219202
2-(3-Methoxy-3-methylbutyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 103219580
5-(Cyclopropylamino)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one
CID 103219946
2-[2-(Diethylamino)ethyl]-5-(propylamino)pyridazin-3-one
CID 103220143

Frequently Asked Questions

What is the IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
The IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one (CID 103223479) is 5-[2-aminoethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one.
What is the SMILES notation for 5-[2-aminoethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
The canonical SMILES for 5-[2-aminoethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one is CN(CCN)c1cnn(CCC(C)(C)O)c(=O)c1.
What is the InChIKey of 5-[2-aminoethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
The InChIKey is NAIXSAHCQSWOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-12(2,18)4-6-16-11(17)8-10(9-14-16)15(3)7-5-13/h8-9,18H,4-7,13H2,1-3H3.
What are the key properties of 5-[2-aminoethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one?
5-[2-aminoethyl(methyl)amino]-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one has a molecular weight of 254.33 g/mol, XLogP of -0.20, 6 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-(3-hydroxy-3-methylbutyl)pyridazin-3-one is sourced from PubChem (CID 103223479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).