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

C10H16ClN3O2 — CID 115586247

IUPAC5-chloro-4-[2-(2-methylpropoxy)ethylamino]-1H-pyridazin-6-one
SMILESCC(C)COCCNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O2/c1-7(2)6-16-4-3-12-8-5-13-14-10(15)9(8)11/h5,7H,3-4,6H2,1-2H3,(H2,12,14,15)
InChIKeyDCDIBWOUXZQUJO-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.51
Rot. Bonds6

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

5-chloro-4-[2-(2-methylpropoxy)ethylamino]-1H-pyridazin-6-one (PubChem CID 115586247) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 5-chloro-4-[2-(2-methylpropoxy)ethylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(2-methylpropoxy)ethylamino]-1H-pyridazin-6-one
PubChem CID115586247
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name5-chloro-4-[2-(2-methylpropoxy)ethylamino]-1H-pyridazin-6-one
SMILESCC(C)COCCNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O2/c1-7(2)6-16-4-3-12-8-5-13-14-10(15)9(8)11/h5,7H,3-4,6H2,1-2H3,(H2,12,14,15)
InChIKeyDCDIBWOUXZQUJO-UHFFFAOYSA-N
XLogP1.51
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-chloro-4-[2-(2-methylpropoxy)ethylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[2-(2-methylpropoxy)ethylamino]-1H-pyridazin-6-one (CID 115586247) is 5-chloro-4-[2-(2-methylpropoxy)ethylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(2-methylpropoxy)ethylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[2-(2-methylpropoxy)ethylamino]-1H-pyridazin-6-one is CC(C)COCCNc1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[2-(2-methylpropoxy)ethylamino]-1H-pyridazin-6-one?
The InChIKey is DCDIBWOUXZQUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-7(2)6-16-4-3-12-8-5-13-14-10(15)9(8)11/h5,7H,3-4,6H2,1-2H3,(H2,12,14,15).
What are the key properties of 5-chloro-4-[2-(2-methylpropoxy)ethylamino]-1H-pyridazin-6-one?
5-chloro-4-[2-(2-methylpropoxy)ethylamino]-1H-pyridazin-6-one has a molecular weight of 245.71 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(2-methylpropoxy)ethylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 115586247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).