4-chloro-2-methyl-5-[methyl(prop-2-ynyl)amino]pyridazin-3-one

C9H10ClN3O — CID 100705335

IUPAC4-chloro-2-methyl-5-[methyl(prop-2-ynyl)amino]pyridazin-3-one
SMILESC#CCN(C)c1cnn(C)c(=O)c1Cl
InChIInChI=1S/C9H10ClN3O/c1-4-5-12(2)7-6-11-13(3)9(14)8(7)10/h1,6H,5H2,2-3H3
InChIKeyISAHSXPUULIRPK-UHFFFAOYSA-N
MW211.65 g/mol
LogP0.50
Rot. Bonds2

About 4-chloro-2-methyl-5-[methyl(prop-2-ynyl)amino]pyridazin-3-one

4-chloro-2-methyl-5-[methyl(prop-2-ynyl)amino]pyridazin-3-one (PubChem CID 100705335) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[methyl(prop-2-ynyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[methyl(prop-2-ynyl)amino]pyridazin-3-one
PubChem CID100705335
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name4-chloro-2-methyl-5-[methyl(prop-2-ynyl)amino]pyridazin-3-one
SMILESC#CCN(C)c1cnn(C)c(=O)c1Cl
InChIInChI=1S/C9H10ClN3O/c1-4-5-12(2)7-6-11-13(3)9(14)8(7)10/h1,6H,5H2,2-3H3
InChIKeyISAHSXPUULIRPK-UHFFFAOYSA-N
XLogP0.50
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[methyl(prop-2-ynyl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[methyl(prop-2-ynyl)amino]pyridazin-3-one (CID 100705335) is 4-chloro-2-methyl-5-[methyl(prop-2-ynyl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[methyl(prop-2-ynyl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[methyl(prop-2-ynyl)amino]pyridazin-3-one is C#CCN(C)c1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-methyl-5-[methyl(prop-2-ynyl)amino]pyridazin-3-one?
The InChIKey is ISAHSXPUULIRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-4-5-12(2)7-6-11-13(3)9(14)8(7)10/h1,6H,5H2,2-3H3.
What are the key properties of 4-chloro-2-methyl-5-[methyl(prop-2-ynyl)amino]pyridazin-3-one?
4-chloro-2-methyl-5-[methyl(prop-2-ynyl)amino]pyridazin-3-one has a molecular weight of 211.65 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[methyl(prop-2-ynyl)amino]pyridazin-3-one is sourced from PubChem (CID 100705335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).