4-chloro-5-[(4-methoxy-3-propoxyphenyl)methylamino]-2-methylpyridazin-3-one

C16H20ClN3O3 — CID 3065184

IUPAC4-chloro-5-[(4-methoxy-3-propoxyphenyl)methylamino]-2-methylpyridazin-3-one
SMILESCCCOc1cc(CNc2cnn(C)c(=O)c2Cl)ccc1OC
InChIInChI=1S/C16H20ClN3O3/c1-4-7-23-14-8-11(5-6-13(14)22-3)9-18-12-10-19-20(2)16(21)15(12)17/h5-6,8,10,18H,4,7,9H2,1-3H3
InChIKeyIYNHMDJOOBQMNP-UHFFFAOYSA-N
MW337.81 g/mol
LogP2.84
Rot. Bonds7

About 4-chloro-5-[(4-methoxy-3-propoxyphenyl)methylamino]-2-methylpyridazin-3-one

4-chloro-5-[(4-methoxy-3-propoxyphenyl)methylamino]-2-methylpyridazin-3-one (PubChem CID 3065184) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 4-chloro-5-[(4-methoxy-3-propoxyphenyl)methylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(4-methoxy-3-propoxyphenyl)methylamino]-2-methylpyridazin-3-one
PubChem CID3065184
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name4-chloro-5-[(4-methoxy-3-propoxyphenyl)methylamino]-2-methylpyridazin-3-one
SMILESCCCOc1cc(CNc2cnn(C)c(=O)c2Cl)ccc1OC
InChIInChI=1S/C16H20ClN3O3/c1-4-7-23-14-8-11(5-6-13(14)22-3)9-18-12-10-19-20(2)16(21)15(12)17/h5-6,8,10,18H,4,7,9H2,1-3H3
InChIKeyIYNHMDJOOBQMNP-UHFFFAOYSA-N
XLogP2.84
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(4-methoxy-3-propoxyphenyl)methylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(4-methoxy-3-propoxyphenyl)methylamino]-2-methylpyridazin-3-one (CID 3065184) is 4-chloro-5-[(4-methoxy-3-propoxyphenyl)methylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(4-methoxy-3-propoxyphenyl)methylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(4-methoxy-3-propoxyphenyl)methylamino]-2-methylpyridazin-3-one is CCCOc1cc(CNc2cnn(C)c(=O)c2Cl)ccc1OC.
What is the InChIKey of 4-chloro-5-[(4-methoxy-3-propoxyphenyl)methylamino]-2-methylpyridazin-3-one?
The InChIKey is IYNHMDJOOBQMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c1-4-7-23-14-8-11(5-6-13(14)22-3)9-18-12-10-19-20(2)16(21)15(12)17/h5-6,8,10,18H,4,7,9H2,1-3H3.
What are the key properties of 4-chloro-5-[(4-methoxy-3-propoxyphenyl)methylamino]-2-methylpyridazin-3-one?
4-chloro-5-[(4-methoxy-3-propoxyphenyl)methylamino]-2-methylpyridazin-3-one has a molecular weight of 337.81 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(4-methoxy-3-propoxyphenyl)methylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 3065184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).