2-[3-methyl-2-(methylamino)butyl]-5-[methyl(propyl)amino]pyridazin-3-one

C14H26N4O — CID 114395128

IUPAC2-[3-methyl-2-(methylamino)butyl]-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn(CC(NC)C(C)C)c(=O)c1
InChIInChI=1S/C14H26N4O/c1-6-7-17(5)12-8-14(19)18(16-9-12)10-13(15-4)11(2)3/h8-9,11,13,15H,6-7,10H2,1-5H3
InChIKeyIZSVBANGMWLSHL-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.33
Rot. Bonds7

About 2-[3-methyl-2-(methylamino)butyl]-5-[methyl(propyl)amino]pyridazin-3-one

2-[3-methyl-2-(methylamino)butyl]-5-[methyl(propyl)amino]pyridazin-3-one (PubChem CID 114395128) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[3-methyl-2-(methylamino)butyl]-5-[methyl(propyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[3-methyl-2-(methylamino)butyl]-5-[methyl(propyl)amino]pyridazin-3-one
PubChem CID114395128
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[3-methyl-2-(methylamino)butyl]-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn(CC(NC)C(C)C)c(=O)c1
InChIInChI=1S/C14H26N4O/c1-6-7-17(5)12-8-14(19)18(16-9-12)10-13(15-4)11(2)3/h8-9,11,13,15H,6-7,10H2,1-5H3
InChIKeyIZSVBANGMWLSHL-UHFFFAOYSA-N
XLogP1.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-2-methylpropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394404
2-(2-hydroxypentyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114397148
2-(3-chloro-2-hydroxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394399
2-(3-amino-2-ethoxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393779
2-[2-(ethylamino)-3-methylpentyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394815
3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanal
CID 114396264
5-[ethyl(methyl)amino]-2-(2-methyl-3-sulfanylpropyl)pyridazin-3-one
CID 114399054
2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one
CID 114394227
2-[(4-iodophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114396977
5-[ethyl(methyl)amino]-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
CID 114394819
5-(dimethylamino)-2-[3-(ethylamino)-2-methylpropyl]pyridazin-3-one
CID 114396794
3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile
CID 114395697

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-2-(methylamino)butyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The IUPAC name of 2-[3-methyl-2-(methylamino)butyl]-5-[methyl(propyl)amino]pyridazin-3-one (CID 114395128) is 2-[3-methyl-2-(methylamino)butyl]-5-[methyl(propyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[3-methyl-2-(methylamino)butyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[3-methyl-2-(methylamino)butyl]-5-[methyl(propyl)amino]pyridazin-3-one is CCCN(C)c1cnn(CC(NC)C(C)C)c(=O)c1.
What is the InChIKey of 2-[3-methyl-2-(methylamino)butyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The InChIKey is IZSVBANGMWLSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-7-17(5)12-8-14(19)18(16-9-12)10-13(15-4)11(2)3/h8-9,11,13,15H,6-7,10H2,1-5H3.
What are the key properties of 2-[3-methyl-2-(methylamino)butyl]-5-[methyl(propyl)amino]pyridazin-3-one?
2-[3-methyl-2-(methylamino)butyl]-5-[methyl(propyl)amino]pyridazin-3-one has a molecular weight of 266.39 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-2-(methylamino)butyl]-5-[methyl(propyl)amino]pyridazin-3-one is sourced from PubChem (CID 114395128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).