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

C15H19ClN4O — CID 162624743

IUPAC4-chloro-5-[4-[2-(dimethylamino)ethyl]anilino]-2-methylpyridazin-3-one
SMILESCN(C)CCc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1
InChIInChI=1S/C15H19ClN4O/c1-19(2)9-8-11-4-6-12(7-5-11)18-13-10-17-20(3)15(21)14(13)16/h4-7,10,18H,8-9H2,1-3H3
InChIKeyGMOXVZIZCRBKJB-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.28
Rot. Bonds5

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

4-chloro-5-[4-[2-(dimethylamino)ethyl]anilino]-2-methylpyridazin-3-one (PubChem CID 162624743) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-chloro-5-[4-[2-(dimethylamino)ethyl]anilino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-[2-(dimethylamino)ethyl]anilino]-2-methylpyridazin-3-one
PubChem CID162624743
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name4-chloro-5-[4-[2-(dimethylamino)ethyl]anilino]-2-methylpyridazin-3-one
SMILESCN(C)CCc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1
InChIInChI=1S/C15H19ClN4O/c1-19(2)9-8-11-4-6-12(7-5-11)18-13-10-17-20(3)15(21)14(13)16/h4-7,10,18H,8-9H2,1-3H3
InChIKeyGMOXVZIZCRBKJB-UHFFFAOYSA-N
XLogP2.28
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-[2-(dimethylamino)ethyl]anilino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-[2-(dimethylamino)ethyl]anilino]-2-methylpyridazin-3-one (CID 162624743) is 4-chloro-5-[4-[2-(dimethylamino)ethyl]anilino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-[2-(dimethylamino)ethyl]anilino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-[2-(dimethylamino)ethyl]anilino]-2-methylpyridazin-3-one is CN(C)CCc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1.
What is the InChIKey of 4-chloro-5-[4-[2-(dimethylamino)ethyl]anilino]-2-methylpyridazin-3-one?
The InChIKey is GMOXVZIZCRBKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-19(2)9-8-11-4-6-12(7-5-11)18-13-10-17-20(3)15(21)14(13)16/h4-7,10,18H,8-9H2,1-3H3.
What are the key properties of 4-chloro-5-[4-[2-(dimethylamino)ethyl]anilino]-2-methylpyridazin-3-one?
4-chloro-5-[4-[2-(dimethylamino)ethyl]anilino]-2-methylpyridazin-3-one has a molecular weight of 306.80 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-[2-(dimethylamino)ethyl]anilino]-2-methylpyridazin-3-one is sourced from PubChem (CID 162624743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).