2-(5-amino-4,4-dimethylpentyl)-5-[ethyl(methyl)amino]pyridazin-3-one

C14H26N4O — CID 114393736

IUPAC2-(5-amino-4,4-dimethylpentyl)-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(CCCC(C)(C)CN)c(=O)c1
InChIInChI=1S/C14H26N4O/c1-5-17(4)12-9-13(19)18(16-10-12)8-6-7-14(2,3)11-15/h9-10H,5-8,11,15H2,1-4H3
InChIKeyKXVPXFSHMIBMND-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.46
Rot. Bonds7

About 2-(5-amino-4,4-dimethylpentyl)-5-[ethyl(methyl)amino]pyridazin-3-one

2-(5-amino-4,4-dimethylpentyl)-5-[ethyl(methyl)amino]pyridazin-3-one (PubChem CID 114393736) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(5-amino-4,4-dimethylpentyl)-5-[ethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-(5-amino-4,4-dimethylpentyl)-5-[ethyl(methyl)amino]pyridazin-3-one
PubChem CID114393736
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-(5-amino-4,4-dimethylpentyl)-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(CCCC(C)(C)CN)c(=O)c1
InChIInChI=1S/C14H26N4O/c1-5-17(4)12-9-13(19)18(16-10-12)8-6-7-14(2,3)11-15/h9-10H,5-8,11,15H2,1-4H3
InChIKeyKXVPXFSHMIBMND-UHFFFAOYSA-N
XLogP1.46
TPSA64.15 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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,9-Diazaspiro[5.5]undecan-3-yl)-2-methylpyridazin-3-one
CID 121313999
5-[4-(aminomethyl)-1-piperidinyl]-2-pentyl-3(2H)-pyridazinone trifluoroacetate
CID 28311411
2-(5-Amino-4,4-dimethylpentyl)pyridazin-3-one
CID 65255949
5-(Dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one
CID 72853311
2-[2-(Aminomethyl)prop-2-enyl]-5-(dimethylamino)pyridazin-3-one
CID 103073049
5-(Dimethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073051
2-[2-(Aminomethyl)prop-2-enyl]-5-piperidin-1-ylpyridazin-3-one
CID 103073061
2-[2-(Ethylaminomethyl)prop-2-enyl]-5-piperidin-1-ylpyridazin-3-one
CID 103073062
2-[2-(Methylaminomethyl)prop-2-enyl]-5-piperidin-1-ylpyridazin-3-one
CID 103073063
2-[2-(Aminomethyl)prop-2-enyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 103073076
5-(Diethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073082
2-[2-(Aminomethyl)prop-2-enyl]-5-(4-methylpiperidin-1-yl)pyridazin-3-one
CID 103073087

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4,4-dimethylpentyl)-5-[ethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-(5-amino-4,4-dimethylpentyl)-5-[ethyl(methyl)amino]pyridazin-3-one (CID 114393736) is 2-(5-amino-4,4-dimethylpentyl)-5-[ethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-(5-amino-4,4-dimethylpentyl)-5-[ethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-(5-amino-4,4-dimethylpentyl)-5-[ethyl(methyl)amino]pyridazin-3-one is CCN(C)c1cnn(CCCC(C)(C)CN)c(=O)c1.
What is the InChIKey of 2-(5-amino-4,4-dimethylpentyl)-5-[ethyl(methyl)amino]pyridazin-3-one?
The InChIKey is KXVPXFSHMIBMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-17(4)12-9-13(19)18(16-10-12)8-6-7-14(2,3)11-15/h9-10H,5-8,11,15H2,1-4H3.
What are the key properties of 2-(5-amino-4,4-dimethylpentyl)-5-[ethyl(methyl)amino]pyridazin-3-one?
2-(5-amino-4,4-dimethylpentyl)-5-[ethyl(methyl)amino]pyridazin-3-one has a molecular weight of 266.39 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4,4-dimethylpentyl)-5-[ethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114393736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).