4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one

C12H19ClN4O — CID 121476455

IUPAC4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one
SMILESCN1CCCC(Nc2cnn(C)c(=O)c2Cl)CC1
InChIInChI=1S/C12H19ClN4O/c1-16-6-3-4-9(5-7-16)15-10-8-14-17(2)12(18)11(10)13/h8-9,15H,3-7H2,1-2H3
InChIKeyOUXDYGZBGLTVRL-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.33
Rot. Bonds2

About 4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one

4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one (PubChem CID 121476455) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one
PubChem CID121476455
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one
SMILESCN1CCCC(Nc2cnn(C)c(=O)c2Cl)CC1
InChIInChI=1S/C12H19ClN4O/c1-16-6-3-4-9(5-7-16)15-10-8-14-17(2)12(18)11(10)13/h8-9,15H,3-7H2,1-2H3
InChIKeyOUXDYGZBGLTVRL-UHFFFAOYSA-N
XLogP1.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one (CID 121476455) is 4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one is CN1CCCC(Nc2cnn(C)c(=O)c2Cl)CC1.
What is the InChIKey of 4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one?
The InChIKey is OUXDYGZBGLTVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-16-6-3-4-9(5-7-16)15-10-8-14-17(2)12(18)11(10)13/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one?
4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one has a molecular weight of 270.76 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one is sourced from PubChem (CID 121476455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).