2-(3,3-dimethylbutyl)-5-(ethylamino)pyridazin-3-one

C12H21N3O — CID 103219009

IUPAC2-(3,3-dimethylbutyl)-5-(ethylamino)pyridazin-3-one
SMILESCCNc1cnn(CCC(C)(C)C)c(=O)c1
InChIInChI=1S/C12H21N3O/c1-5-13-10-8-11(16)15(14-9-10)7-6-12(2,3)4/h8-9,13H,5-7H2,1-4H3
InChIKeyLVQNCBNLEKBREV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.11
Rot. Bonds4

About 2-(3,3-dimethylbutyl)-5-(ethylamino)pyridazin-3-one

2-(3,3-dimethylbutyl)-5-(ethylamino)pyridazin-3-one (PubChem CID 103219009) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-5-(ethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-5-(ethylamino)pyridazin-3-one
PubChem CID103219009
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(3,3-dimethylbutyl)-5-(ethylamino)pyridazin-3-one
SMILESCCNc1cnn(CCC(C)(C)C)c(=O)c1
InChIInChI=1S/C12H21N3O/c1-5-13-10-8-11(16)15(14-9-10)7-6-12(2,3)4/h8-9,13H,5-7H2,1-4H3
InChIKeyLVQNCBNLEKBREV-UHFFFAOYSA-N
XLogP2.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylpentylamino)-1H-pyridazin-6-one
CID 114392023
N-(1-methyl-6-oxopyridazin-4-yl)propanamide
CID 170387108
3-methyl-N-(1-methyl-6-oxopyridazin-4-yl)butanamide
CID 176873099
5-(Ethylamino)-2-methylpyridazin-3-one
CID 10487061
4-Chloro-5-(3,3-dimethylbutylamino)-2-methylpyridazin-3-one
CID 47184858
2-[3,3-Dimethyl-2-(methylamino)butyl]pyridazin-3-one
CID 62848545
2-[2-(Ethylamino)-3,3-dimethylbutyl]pyridazin-3-one
CID 62849594
2-[3,3-Dimethyl-2-(propylamino)butyl]pyridazin-3-one
CID 62850844
2-[2-(3,3-Dimethylbutylamino)ethyl]pyridazin-3-one
CID 62850873
2-(4-Amino-3,3-dimethylbutyl)pyridazin-3-one
CID 65247343
5-(Butylamino)-3-pyridazinol
CID 66523135
2,2-dimethyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}butanamide
CID 70713223

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-5-(ethylamino)pyridazin-3-one?
The IUPAC name of 2-(3,3-dimethylbutyl)-5-(ethylamino)pyridazin-3-one (CID 103219009) is 2-(3,3-dimethylbutyl)-5-(ethylamino)pyridazin-3-one.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-5-(ethylamino)pyridazin-3-one?
The canonical SMILES for 2-(3,3-dimethylbutyl)-5-(ethylamino)pyridazin-3-one is CCNc1cnn(CCC(C)(C)C)c(=O)c1.
What is the InChIKey of 2-(3,3-dimethylbutyl)-5-(ethylamino)pyridazin-3-one?
The InChIKey is LVQNCBNLEKBREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-13-10-8-11(16)15(14-9-10)7-6-12(2,3)4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 2-(3,3-dimethylbutyl)-5-(ethylamino)pyridazin-3-one?
2-(3,3-dimethylbutyl)-5-(ethylamino)pyridazin-3-one has a molecular weight of 223.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-5-(ethylamino)pyridazin-3-one is sourced from PubChem (CID 103219009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).