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

C14H17ClN4O — CID 718872

IUPAC4-chloro-5-[2-(dimethylamino)ethylamino]-2-phenylpyridazin-3-one
SMILESCN(C)CCNc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C14H17ClN4O/c1-18(2)9-8-16-12-10-17-19(14(20)13(12)15)11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3
InChIKeyMCUNRGBAJOWOMC-UHFFFAOYSA-N
MW292.77 g/mol
LogP1.86
Rot. Bonds5

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

4-chloro-5-[2-(dimethylamino)ethylamino]-2-phenylpyridazin-3-one (PubChem CID 718872) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-5-[2-(dimethylamino)ethylamino]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[2-(dimethylamino)ethylamino]-2-phenylpyridazin-3-one
PubChem CID718872
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-chloro-5-[2-(dimethylamino)ethylamino]-2-phenylpyridazin-3-one
SMILESCN(C)CCNc1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C14H17ClN4O/c1-18(2)9-8-16-12-10-17-19(14(20)13(12)15)11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3
InChIKeyMCUNRGBAJOWOMC-UHFFFAOYSA-N
XLogP1.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-(dimethylamino)ethylamino]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[2-(dimethylamino)ethylamino]-2-phenylpyridazin-3-one (CID 718872) is 4-chloro-5-[2-(dimethylamino)ethylamino]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[2-(dimethylamino)ethylamino]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[2-(dimethylamino)ethylamino]-2-phenylpyridazin-3-one is CN(C)CCNc1cnn(-c2ccccc2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-[2-(dimethylamino)ethylamino]-2-phenylpyridazin-3-one?
The InChIKey is MCUNRGBAJOWOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-18(2)9-8-16-12-10-17-19(14(20)13(12)15)11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3.
What are the key properties of 4-chloro-5-[2-(dimethylamino)ethylamino]-2-phenylpyridazin-3-one?
4-chloro-5-[2-(dimethylamino)ethylamino]-2-phenylpyridazin-3-one has a molecular weight of 292.77 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-(dimethylamino)ethylamino]-2-phenylpyridazin-3-one is sourced from PubChem (CID 718872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).