5-chloro-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyridazin-6-one

C13H14ClN3O2 — CID 26436246

IUPAC5-chloro-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyridazin-6-one
SMILESCOc1ccc(CCNc2cn[nH]c(=O)c2Cl)cc1
InChIInChI=1S/C13H14ClN3O2/c1-19-10-4-2-9(3-5-10)6-7-15-11-8-16-17-13(18)12(11)14/h2-5,8H,6-7H2,1H3,(H2,15,17,18)
InChIKeyXWDTTWGMCIDVTF-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.09
Rot. Bonds5

About 5-chloro-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyridazin-6-one

5-chloro-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyridazin-6-one (PubChem CID 26436246) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-chloro-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyridazin-6-one
PubChem CID26436246
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name5-chloro-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyridazin-6-one
SMILESCOc1ccc(CCNc2cn[nH]c(=O)c2Cl)cc1
InChIInChI=1S/C13H14ClN3O2/c1-19-10-4-2-9(3-5-10)6-7-15-11-8-16-17-13(18)12(11)14/h2-5,8H,6-7H2,1H3,(H2,15,17,18)
InChIKeyXWDTTWGMCIDVTF-UHFFFAOYSA-N
XLogP2.09
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyridazin-6-one (CID 26436246) is 5-chloro-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyridazin-6-one is COc1ccc(CCNc2cn[nH]c(=O)c2Cl)cc1.
What is the InChIKey of 5-chloro-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyridazin-6-one?
The InChIKey is XWDTTWGMCIDVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-19-10-4-2-9(3-5-10)6-7-15-11-8-16-17-13(18)12(11)14/h2-5,8H,6-7H2,1H3,(H2,15,17,18).
What are the key properties of 5-chloro-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyridazin-6-one?
5-chloro-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyridazin-6-one has a molecular weight of 279.73 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(4-methoxyphenyl)ethylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 26436246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).