4-chloro-5-(dimethylamino)-2-methylpyridazin-3-one

C7H10ClN3O — CID 13410294

IUPAC4-chloro-5-(dimethylamino)-2-methylpyridazin-3-one
SMILESCN(C)c1cnn(C)c(=O)c1Cl
InChIInChI=1S/C7H10ClN3O/c1-10(2)5-4-9-11(3)7(12)6(5)8/h4H,1-3H3
InChIKeyPYUWZEHPNWHXDA-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.50
Rot. Bonds1

About 4-chloro-5-(dimethylamino)-2-methylpyridazin-3-one

4-chloro-5-(dimethylamino)-2-methylpyridazin-3-one (PubChem CID 13410294) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 4-chloro-5-(dimethylamino)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(dimethylamino)-2-methylpyridazin-3-one
PubChem CID13410294
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name4-chloro-5-(dimethylamino)-2-methylpyridazin-3-one
SMILESCN(C)c1cnn(C)c(=O)c1Cl
InChIInChI=1S/C7H10ClN3O/c1-10(2)5-4-9-11(3)7(12)6(5)8/h4H,1-3H3
InChIKeyPYUWZEHPNWHXDA-UHFFFAOYSA-N
XLogP0.50
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(dimethylamino)-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(dimethylamino)-2-methylpyridazin-3-one (CID 13410294) is 4-chloro-5-(dimethylamino)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(dimethylamino)-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(dimethylamino)-2-methylpyridazin-3-one is CN(C)c1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-(dimethylamino)-2-methylpyridazin-3-one?
The InChIKey is PYUWZEHPNWHXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-10(2)5-4-9-11(3)7(12)6(5)8/h4H,1-3H3.
What are the key properties of 4-chloro-5-(dimethylamino)-2-methylpyridazin-3-one?
4-chloro-5-(dimethylamino)-2-methylpyridazin-3-one has a molecular weight of 187.63 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(dimethylamino)-2-methylpyridazin-3-one is sourced from PubChem (CID 13410294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).