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

C10H17N3O — CID 103218292

IUPAC5-amino-2-(3,3-dimethylbutyl)pyridazin-3-one
SMILESCC(C)(C)CCn1ncc(N)cc1=O
InChIInChI=1S/C10H17N3O/c1-10(2,3)4-5-13-9(14)6-8(11)7-12-13/h6-7H,4-5,11H2,1-3H3
InChIKeyNYKQJPCLGIKLRQ-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.26
Rot. Bonds2

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

5-amino-2-(3,3-dimethylbutyl)pyridazin-3-one (PubChem CID 103218292) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-amino-2-(3,3-dimethylbutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-(3,3-dimethylbutyl)pyridazin-3-one
PubChem CID103218292
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-amino-2-(3,3-dimethylbutyl)pyridazin-3-one
SMILESCC(C)(C)CCn1ncc(N)cc1=O
InChIInChI=1S/C10H17N3O/c1-10(2,3)4-5-13-9(14)6-8(11)7-12-13/h6-7H,4-5,11H2,1-3H3
InChIKeyNYKQJPCLGIKLRQ-UHFFFAOYSA-N
XLogP1.26
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-2-propan-2-ylpyridazin-3-one
CID 20513821
N-(1-methyl-6-oxopyridazin-4-yl)propanamide
CID 170387108
3-methyl-N-(1-methyl-6-oxopyridazin-4-yl)butanamide
CID 176873099
2-(4-Amino-3,3-dimethylbutyl)pyridazin-3-one
CID 65247343
2-[2-(Aminomethyl)prop-2-enyl]-5-(dimethylamino)pyridazin-3-one
CID 103073049
5-(Dimethylamino)-2-[2-(ethylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073050
5-(Dimethylamino)-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073053
2-[2-(Aminomethyl)prop-2-enyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 103073076
5-[Ethyl(methyl)amino]-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073078
5-(Diethylamino)-2-[2-(ethylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073081
5-(Diethylamino)-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073084
2-[2-(Aminomethyl)prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 103073090

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,3-dimethylbutyl)pyridazin-3-one?
The IUPAC name of 5-amino-2-(3,3-dimethylbutyl)pyridazin-3-one (CID 103218292) is 5-amino-2-(3,3-dimethylbutyl)pyridazin-3-one.
What is the SMILES notation for 5-amino-2-(3,3-dimethylbutyl)pyridazin-3-one?
The canonical SMILES for 5-amino-2-(3,3-dimethylbutyl)pyridazin-3-one is CC(C)(C)CCn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-(3,3-dimethylbutyl)pyridazin-3-one?
The InChIKey is NYKQJPCLGIKLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(2,3)4-5-13-9(14)6-8(11)7-12-13/h6-7H,4-5,11H2,1-3H3.
What are the key properties of 5-amino-2-(3,3-dimethylbutyl)pyridazin-3-one?
5-amino-2-(3,3-dimethylbutyl)pyridazin-3-one has a molecular weight of 195.27 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3,3-dimethylbutyl)pyridazin-3-one is sourced from PubChem (CID 103218292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).