2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one

C11H19N3O — CID 82442625

IUPAC2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
SMILESCc1cc(CNCC(C)C)c(=O)n(C)n1
InChIInChI=1S/C11H19N3O/c1-8(2)6-12-7-10-5-9(3)13-14(4)11(10)15/h5,8,12H,6-7H2,1-4H3
InChIKeyHBTYCRURMGZQKY-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.83
Rot. Bonds4

About 2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one

2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one (PubChem CID 82442625) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one.

Molecular Properties

Compound Name2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
PubChem CID82442625
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
SMILESCc1cc(CNCC(C)C)c(=O)n(C)n1
InChIInChI=1S/C11H19N3O/c1-8(2)6-12-7-10-5-9(3)13-14(4)11(10)15/h5,8,12H,6-7H2,1-4H3
InChIKeyHBTYCRURMGZQKY-UHFFFAOYSA-N
XLogP0.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one?
The IUPAC name of 2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one (CID 82442625) is 2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one.
What is the SMILES notation for 2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one?
The canonical SMILES for 2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one is Cc1cc(CNCC(C)C)c(=O)n(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one?
The InChIKey is HBTYCRURMGZQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)6-12-7-10-5-9(3)13-14(4)11(10)15/h5,8,12H,6-7H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one?
2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one has a molecular weight of 209.29 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one is sourced from PubChem (CID 82442625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).