5-chloro-4-[2-(dimethylamino)ethylamino]-2-methylpyridazin-3-one

C9H15ClN4O — CID 164610534

IUPAC5-chloro-4-[2-(dimethylamino)ethylamino]-2-methylpyridazin-3-one
SMILESCN(C)CCNc1c(Cl)cnn(C)c1=O
InChIInChI=1S/C9H15ClN4O/c1-13(2)5-4-11-8-7(10)6-12-14(3)9(8)15/h6,11H,4-5H2,1-3H3
InChIKeyJSBHUJOPBRSVAM-UHFFFAOYSA-N
MW230.70 g/mol
LogP0.41
Rot. Bonds4

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

5-chloro-4-[2-(dimethylamino)ethylamino]-2-methylpyridazin-3-one (PubChem CID 164610534) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 5-chloro-4-[2-(dimethylamino)ethylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-chloro-4-[2-(dimethylamino)ethylamino]-2-methylpyridazin-3-one
PubChem CID164610534
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name5-chloro-4-[2-(dimethylamino)ethylamino]-2-methylpyridazin-3-one
SMILESCN(C)CCNc1c(Cl)cnn(C)c1=O
InChIInChI=1S/C9H15ClN4O/c1-13(2)5-4-11-8-7(10)6-12-14(3)9(8)15/h6,11H,4-5H2,1-3H3
InChIKeyJSBHUJOPBRSVAM-UHFFFAOYSA-N
XLogP0.41
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(dimethylamino)ethylamino]-2-methylpyridazin-3-one?
The IUPAC name of 5-chloro-4-[2-(dimethylamino)ethylamino]-2-methylpyridazin-3-one (CID 164610534) is 5-chloro-4-[2-(dimethylamino)ethylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-chloro-4-[2-(dimethylamino)ethylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 5-chloro-4-[2-(dimethylamino)ethylamino]-2-methylpyridazin-3-one is CN(C)CCNc1c(Cl)cnn(C)c1=O.
What is the InChIKey of 5-chloro-4-[2-(dimethylamino)ethylamino]-2-methylpyridazin-3-one?
The InChIKey is JSBHUJOPBRSVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-13(2)5-4-11-8-7(10)6-12-14(3)9(8)15/h6,11H,4-5H2,1-3H3.
What are the key properties of 5-chloro-4-[2-(dimethylamino)ethylamino]-2-methylpyridazin-3-one?
5-chloro-4-[2-(dimethylamino)ethylamino]-2-methylpyridazin-3-one has a molecular weight of 230.70 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(dimethylamino)ethylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 164610534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).