4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-methylpyridazin-3-one

C10H16ClN3O3 — CID 47983877

IUPAC4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-methylpyridazin-3-one
SMILESCOCCOCCNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O3/c1-14-10(15)9(11)8(7-13-14)12-3-4-17-6-5-16-2/h7,12H,3-6H2,1-2H3
InChIKeyBJFLTIFHUFRACE-UHFFFAOYSA-N
MW261.71 g/mol
LogP0.51
Rot. Bonds7

About 4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-methylpyridazin-3-one

4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-methylpyridazin-3-one (PubChem CID 47983877) has the molecular formula C10H16ClN3O3 and a molecular weight of 261.71 g/mol. Its IUPAC name is 4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-methylpyridazin-3-one
PubChem CID47983877
Molecular FormulaC10H16ClN3O3
Molecular Weight261.71 g/mol
Exact Mass261.09
IUPAC Name4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-methylpyridazin-3-one
SMILESCOCCOCCNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O3/c1-14-10(15)9(11)8(7-13-14)12-3-4-17-6-5-16-2/h7,12H,3-6H2,1-2H3
InChIKeyBJFLTIFHUFRACE-UHFFFAOYSA-N
XLogP0.51
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-methylpyridazin-3-one (CID 47983877) is 4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-methylpyridazin-3-one is COCCOCCNc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-methylpyridazin-3-one?
The InChIKey is BJFLTIFHUFRACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3/c1-14-10(15)9(11)8(7-13-14)12-3-4-17-6-5-16-2/h7,12H,3-6H2,1-2H3.
What are the key properties of 4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-methylpyridazin-3-one?
4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-methylpyridazin-3-one has a molecular weight of 261.71 g/mol, XLogP of 0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 47983877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).