6-chloro-4-[[5-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]amino]-2-methylpyridazin-3-one

C15H20ClN5O2 — CID 66742265

IUPAC6-chloro-4-[[5-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]amino]-2-methylpyridazin-3-one
SMILESCOCCN(C)Cc1ccc(Nc2cc(Cl)nn(C)c2=O)nc1
InChIInChI=1S/C15H20ClN5O2/c1-20(6-7-23-3)10-11-4-5-14(17-9-11)18-12-8-13(16)19-21(2)15(12)22/h4-5,8-9H,6-7,10H2,1-3H3,(H,17,18)
InChIKeyDVHSRWLNYFNWTB-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.65
Rot. Bonds7

About 6-chloro-4-[[5-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]amino]-2-methylpyridazin-3-one

6-chloro-4-[[5-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]amino]-2-methylpyridazin-3-one (PubChem CID 66742265) has the molecular formula C15H20ClN5O2 and a molecular weight of 337.81 g/mol. Its IUPAC name is 6-chloro-4-[[5-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]amino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-chloro-4-[[5-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]amino]-2-methylpyridazin-3-one
PubChem CID66742265
Molecular FormulaC15H20ClN5O2
Molecular Weight337.81 g/mol
Exact Mass337.13
IUPAC Name6-chloro-4-[[5-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]amino]-2-methylpyridazin-3-one
SMILESCOCCN(C)Cc1ccc(Nc2cc(Cl)nn(C)c2=O)nc1
InChIInChI=1S/C15H20ClN5O2/c1-20(6-7-23-3)10-11-4-5-14(17-9-11)18-12-8-13(16)19-21(2)15(12)22/h4-5,8-9H,6-7,10H2,1-3H3,(H,17,18)
InChIKeyDVHSRWLNYFNWTB-UHFFFAOYSA-N
XLogP1.65
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-chloro-4-[[5-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]amino]-2-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[[5-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]amino]-2-methylpyridazin-3-one?
The IUPAC name of 6-chloro-4-[[5-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]amino]-2-methylpyridazin-3-one (CID 66742265) is 6-chloro-4-[[5-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]amino]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-chloro-4-[[5-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]amino]-2-methylpyridazin-3-one?
The canonical SMILES for 6-chloro-4-[[5-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]amino]-2-methylpyridazin-3-one is COCCN(C)Cc1ccc(Nc2cc(Cl)nn(C)c2=O)nc1.
What is the InChIKey of 6-chloro-4-[[5-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]amino]-2-methylpyridazin-3-one?
The InChIKey is DVHSRWLNYFNWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O2/c1-20(6-7-23-3)10-11-4-5-14(17-9-11)18-12-8-13(16)19-21(2)15(12)22/h4-5,8-9H,6-7,10H2,1-3H3,(H,17,18).
What are the key properties of 6-chloro-4-[[5-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]amino]-2-methylpyridazin-3-one?
6-chloro-4-[[5-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]amino]-2-methylpyridazin-3-one has a molecular weight of 337.81 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[[5-[[2-methoxyethyl(methyl)amino]methyl]-2-pyridinyl]amino]-2-methylpyridazin-3-one is sourced from PubChem (CID 66742265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).