2-[3-(3-aminopyrazol-1-yl)propyl]-5-[methyl(propyl)amino]pyridazin-3-one

C14H22N6O — CID 114393628

IUPAC2-[3-(3-aminopyrazol-1-yl)propyl]-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn(CCCn2ccc(N)n2)c(=O)c1
InChIInChI=1S/C14H22N6O/c1-3-6-18(2)12-10-14(21)20(16-11-12)8-4-7-19-9-5-13(15)17-19/h5,9-11H,3-4,6-8H2,1-2H3,(H2,15,17)
InChIKeyGZAGYZLZOCJWMB-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.96
Rot. Bonds7

About 2-[3-(3-aminopyrazol-1-yl)propyl]-5-[methyl(propyl)amino]pyridazin-3-one

2-[3-(3-aminopyrazol-1-yl)propyl]-5-[methyl(propyl)amino]pyridazin-3-one (PubChem CID 114393628) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[3-(3-aminopyrazol-1-yl)propyl]-5-[methyl(propyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[3-(3-aminopyrazol-1-yl)propyl]-5-[methyl(propyl)amino]pyridazin-3-one
PubChem CID114393628
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name2-[3-(3-aminopyrazol-1-yl)propyl]-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn(CCCn2ccc(N)n2)c(=O)c1
InChIInChI=1S/C14H22N6O/c1-3-6-18(2)12-10-14(21)20(16-11-12)8-4-7-19-9-5-13(15)17-19/h5,9-11H,3-4,6-8H2,1-2H3,(H2,15,17)
InChIKeyGZAGYZLZOCJWMB-UHFFFAOYSA-N
XLogP0.96
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one
CID 103223346
3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanal
CID 114396264
2-[(2-amino-4-chlorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393646
2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394326
2-(3-chloro-2-methylpropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394404
5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one
CID 114396533
2-[(4-amino-3-fluorophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393637
1-[3-[butyl(methyl)amino]propyl]pyrazol-3-amine
CID 63310307
2-[(4-iodophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114396977
5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one
CID 114396211
tert-butyl 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanoate
CID 114394122
2-[2-(1,3-dioxan-2-yl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114396265

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-aminopyrazol-1-yl)propyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The IUPAC name of 2-[3-(3-aminopyrazol-1-yl)propyl]-5-[methyl(propyl)amino]pyridazin-3-one (CID 114393628) is 2-[3-(3-aminopyrazol-1-yl)propyl]-5-[methyl(propyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[3-(3-aminopyrazol-1-yl)propyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[3-(3-aminopyrazol-1-yl)propyl]-5-[methyl(propyl)amino]pyridazin-3-one is CCCN(C)c1cnn(CCCn2ccc(N)n2)c(=O)c1.
What is the InChIKey of 2-[3-(3-aminopyrazol-1-yl)propyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The InChIKey is GZAGYZLZOCJWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-3-6-18(2)12-10-14(21)20(16-11-12)8-4-7-19-9-5-13(15)17-19/h5,9-11H,3-4,6-8H2,1-2H3,(H2,15,17).
What are the key properties of 2-[3-(3-aminopyrazol-1-yl)propyl]-5-[methyl(propyl)amino]pyridazin-3-one?
2-[3-(3-aminopyrazol-1-yl)propyl]-5-[methyl(propyl)amino]pyridazin-3-one has a molecular weight of 290.37 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-aminopyrazol-1-yl)propyl]-5-[methyl(propyl)amino]pyridazin-3-one is sourced from PubChem (CID 114393628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).