2-methyl-6-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]pyridazin-3-one

C17H22N4O — CID 56680431

IUPAC2-methyl-6-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]pyridazin-3-one
SMILESCN1CCCN(c2ccc(-c3ccc(=O)n(C)n3)cc2)CC1
InChIInChI=1S/C17H22N4O/c1-19-10-3-11-21(13-12-19)15-6-4-14(5-7-15)16-8-9-17(22)20(2)18-16/h4-9H,3,10-13H2,1-2H3
InChIKeyQWTPYIMKOYVUCJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.59
Rot. Bonds2

About 2-methyl-6-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]pyridazin-3-one

2-methyl-6-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]pyridazin-3-one (PubChem CID 56680431) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-methyl-6-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]pyridazin-3-one
PubChem CID56680431
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-methyl-6-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]pyridazin-3-one
SMILESCN1CCCN(c2ccc(-c3ccc(=O)n(C)n3)cc2)CC1
InChIInChI=1S/C17H22N4O/c1-19-10-3-11-21(13-12-19)15-6-4-14(5-7-15)16-8-9-17(22)20(2)18-16/h4-9H,3,10-13H2,1-2H3
InChIKeyQWTPYIMKOYVUCJ-UHFFFAOYSA-N
XLogP1.59
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]pyridazin-3-one (CID 56680431) is 2-methyl-6-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]pyridazin-3-one is CN1CCCN(c2ccc(-c3ccc(=O)n(C)n3)cc2)CC1.
What is the InChIKey of 2-methyl-6-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]pyridazin-3-one?
The InChIKey is QWTPYIMKOYVUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-19-10-3-11-21(13-12-19)15-6-4-14(5-7-15)16-8-9-17(22)20(2)18-16/h4-9H,3,10-13H2,1-2H3.
What are the key properties of 2-methyl-6-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]pyridazin-3-one?
2-methyl-6-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]pyridazin-3-one has a molecular weight of 298.39 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]pyridazin-3-one is sourced from PubChem (CID 56680431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).