2-[cyclobutyl-(3,6-dichloropyridazin-4-yl)amino]ethanol

C10H13Cl2N3O — CID 102865921

IUPAC2-[cyclobutyl-(3,6-dichloropyridazin-4-yl)amino]ethanol
SMILESOCCN(c1cc(Cl)nnc1Cl)C1CCC1
InChIInChI=1S/C10H13Cl2N3O/c11-9-6-8(10(12)14-13-9)15(4-5-16)7-2-1-3-7/h6-7,16H,1-5H2
InChIKeyLVZAPWRTOFUKNV-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.13
Rot. Bonds4

About 2-[cyclobutyl-(3,6-dichloropyridazin-4-yl)amino]ethanol

2-[cyclobutyl-(3,6-dichloropyridazin-4-yl)amino]ethanol (PubChem CID 102865921) has the molecular formula C10H13Cl2N3O and a molecular weight of 262.14 g/mol. Its IUPAC name is 2-[cyclobutyl-(3,6-dichloropyridazin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-(3,6-dichloropyridazin-4-yl)amino]ethanol
PubChem CID102865921
Molecular FormulaC10H13Cl2N3O
Molecular Weight262.14 g/mol
Exact Mass261.04
IUPAC Name2-[cyclobutyl-(3,6-dichloropyridazin-4-yl)amino]ethanol
SMILESOCCN(c1cc(Cl)nnc1Cl)C1CCC1
InChIInChI=1S/C10H13Cl2N3O/c11-9-6-8(10(12)14-13-9)15(4-5-16)7-2-1-3-7/h6-7,16H,1-5H2
InChIKeyLVZAPWRTOFUKNV-UHFFFAOYSA-N
XLogP2.13
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[2-(aminomethyl)-3-chloro-N-cyclobutylanilino]ethanol
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2-(2-amino-N-cyclobutyl-3,5-difluoroanilino)ethanol
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2-[(6-chloro-4-nitro-2-pyridinyl)-cyclobutylamino]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-(3,6-dichloropyridazin-4-yl)amino]ethanol?
The IUPAC name of 2-[cyclobutyl-(3,6-dichloropyridazin-4-yl)amino]ethanol (CID 102865921) is 2-[cyclobutyl-(3,6-dichloropyridazin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-(3,6-dichloropyridazin-4-yl)amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-(3,6-dichloropyridazin-4-yl)amino]ethanol is OCCN(c1cc(Cl)nnc1Cl)C1CCC1.
What is the InChIKey of 2-[cyclobutyl-(3,6-dichloropyridazin-4-yl)amino]ethanol?
The InChIKey is LVZAPWRTOFUKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O/c11-9-6-8(10(12)14-13-9)15(4-5-16)7-2-1-3-7/h6-7,16H,1-5H2.
What are the key properties of 2-[cyclobutyl-(3,6-dichloropyridazin-4-yl)amino]ethanol?
2-[cyclobutyl-(3,6-dichloropyridazin-4-yl)amino]ethanol has a molecular weight of 262.14 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-(3,6-dichloropyridazin-4-yl)amino]ethanol is sourced from PubChem (CID 102865921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).