2-(5-amino-4,4-dimethylpentyl)-6-methylpyridazin-3-one

C12H21N3O — CID 65256056

IUPAC2-(5-amino-4,4-dimethylpentyl)-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCCC(C)(C)CN)n1
InChIInChI=1S/C12H21N3O/c1-10-5-6-11(16)15(14-10)8-4-7-12(2,3)9-13/h5-6H,4,7-9,13H2,1-3H3
InChIKeyYHWKBIYVJMVPBG-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.32
Rot. Bonds5

About 2-(5-amino-4,4-dimethylpentyl)-6-methylpyridazin-3-one

2-(5-amino-4,4-dimethylpentyl)-6-methylpyridazin-3-one (PubChem CID 65256056) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(5-amino-4,4-dimethylpentyl)-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(5-amino-4,4-dimethylpentyl)-6-methylpyridazin-3-one
PubChem CID65256056
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(5-amino-4,4-dimethylpentyl)-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCCC(C)(C)CN)n1
InChIInChI=1S/C12H21N3O/c1-10-5-6-11(16)15(14-10)8-4-7-12(2,3)9-13/h5-6H,4,7-9,13H2,1-3H3
InChIKeyYHWKBIYVJMVPBG-UHFFFAOYSA-N
XLogP1.32
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-amino-5,5-dimethylhexyl)pyridazin-3-one
CID 106708398
6-methyl-2-propylpyridazin-3-one
CID 12504076
3-(5-amino-4,4-dimethylpentyl)pyrimidin-4-one
CID 65255580
2-(5-amino-4,4-dimethylpentyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 65254173
1-(5-amino-4,4-dimethylpentyl)pyridin-2-one
CID 65254501
2-[3-(cyclopropylamino)propyl]-6-methylpyridazin-3-one
CID 62924077
6-methyl-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one
CID 62923541
ethene;2-ethyl-6-methylpyridazin-3-one
CID 159533733
2-[(2S)-2-aminopropyl]-6-methylpyridazin-3-one
CID 94898157
2-(6-amino-5,5-dimethylhexyl)-1H-pyridazine-3,6-dione
CID 106708339
2-[2-(2-chloroethoxy)ethyl]-6-methylpyridazin-3-one
CID 63664601
6-methyl-2-[2-(3-methylbutan-2-ylamino)ethyl]pyridazin-3-one
CID 62922504

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4,4-dimethylpentyl)-6-methylpyridazin-3-one?
The IUPAC name of 2-(5-amino-4,4-dimethylpentyl)-6-methylpyridazin-3-one (CID 65256056) is 2-(5-amino-4,4-dimethylpentyl)-6-methylpyridazin-3-one.
What is the SMILES notation for 2-(5-amino-4,4-dimethylpentyl)-6-methylpyridazin-3-one?
The canonical SMILES for 2-(5-amino-4,4-dimethylpentyl)-6-methylpyridazin-3-one is Cc1ccc(=O)n(CCCC(C)(C)CN)n1.
What is the InChIKey of 2-(5-amino-4,4-dimethylpentyl)-6-methylpyridazin-3-one?
The InChIKey is YHWKBIYVJMVPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-5-6-11(16)15(14-10)8-4-7-12(2,3)9-13/h5-6H,4,7-9,13H2,1-3H3.
What are the key properties of 2-(5-amino-4,4-dimethylpentyl)-6-methylpyridazin-3-one?
2-(5-amino-4,4-dimethylpentyl)-6-methylpyridazin-3-one has a molecular weight of 223.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4,4-dimethylpentyl)-6-methylpyridazin-3-one is sourced from PubChem (CID 65256056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).