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

C12H21N3O — CID 106548354

IUPAC2-(5-amino-4,4-dimethylpentyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CCCC(C)(C)CN)c(=O)c1
InChIInChI=1S/C12H21N3O/c1-10-7-11(16)15(14-8-10)6-4-5-12(2,3)9-13/h7-8H,4-6,9,13H2,1-3H3
InChIKeyMUDQJYCEZJBLGP-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.32
Rot. Bonds5

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

2-(5-amino-4,4-dimethylpentyl)-5-methylpyridazin-3-one (PubChem CID 106548354) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(5-amino-4,4-dimethylpentyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(5-amino-4,4-dimethylpentyl)-5-methylpyridazin-3-one
PubChem CID106548354
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(5-amino-4,4-dimethylpentyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CCCC(C)(C)CN)c(=O)c1
InChIInChI=1S/C12H21N3O/c1-10-7-11(16)15(14-8-10)6-4-5-12(2,3)9-13/h7-8H,4-6,9,13H2,1-3H3
InChIKeyMUDQJYCEZJBLGP-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-(4-Amino-3,3-dimethylbutyl)pyridazin-3-one
CID 65247343
2-(5-Amino-4,4-dimethylpentyl)pyridazin-3-one
CID 65255949
2-(4-Amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one
CID 106548356
2-[[1-(2-Aminoethyl)cyclopropyl]methyl]-5-methylpyridazin-3-one
CID 106548366
2-(4-Aminobutyl)-5-methylpyridazin-3-one
CID 106548370
2-(5-Aminopentyl)-5-methylpyridazin-3-one
CID 106548374
2-(5-Aminohexyl)-5-methylpyridazin-3-one
CID 106548503
5-Methyl-2-[4-(propylamino)pentyl]pyridazin-3-one
CID 106548504
5-Methyl-2-[2-(propylamino)pentyl]pyridazin-3-one
CID 106548521
2-[3,3-Dimethyl-2-(propylamino)butyl]-5-methylpyridazin-3-one
CID 106548540
2-(2-Aminopentyl)-5-methylpyridazin-3-one
CID 106548547
5-Methyl-2-[5-(methylamino)hexyl]pyridazin-3-one
CID 106548554

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4,4-dimethylpentyl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(5-amino-4,4-dimethylpentyl)-5-methylpyridazin-3-one (CID 106548354) is 2-(5-amino-4,4-dimethylpentyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(5-amino-4,4-dimethylpentyl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(5-amino-4,4-dimethylpentyl)-5-methylpyridazin-3-one is Cc1cnn(CCCC(C)(C)CN)c(=O)c1.
What is the InChIKey of 2-(5-amino-4,4-dimethylpentyl)-5-methylpyridazin-3-one?
The InChIKey is MUDQJYCEZJBLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-7-11(16)15(14-8-10)6-4-5-12(2,3)9-13/h7-8H,4-6,9,13H2,1-3H3.
What are the key properties of 2-(5-amino-4,4-dimethylpentyl)-5-methylpyridazin-3-one?
2-(5-amino-4,4-dimethylpentyl)-5-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)-5-methylpyridazin-3-one is sourced from PubChem (CID 106548354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).