N-[2-(3,6-dichloropyridazin-4-yl)oxyethyl]-N-methylcyclopropanamine

C10H13Cl2N3O — CID 102740004

IUPACN-[2-(3,6-dichloropyridazin-4-yl)oxyethyl]-N-methylcyclopropanamine
SMILESCN(CCOc1cc(Cl)nnc1Cl)C1CC1
InChIInChI=1S/C10H13Cl2N3O/c1-15(7-2-3-7)4-5-16-8-6-9(11)13-14-10(8)12/h6-7H,2-5H2,1H3
InChIKeyKSPRQENUDZLYMH-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.26
Rot. Bonds5

About N-[2-(3,6-dichloropyridazin-4-yl)oxyethyl]-N-methylcyclopropanamine

N-[2-(3,6-dichloropyridazin-4-yl)oxyethyl]-N-methylcyclopropanamine (PubChem CID 102740004) has the molecular formula C10H13Cl2N3O and a molecular weight of 262.14 g/mol. Its IUPAC name is N-[2-(3,6-dichloropyridazin-4-yl)oxyethyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[2-(3,6-dichloropyridazin-4-yl)oxyethyl]-N-methylcyclopropanamine
PubChem CID102740004
Molecular FormulaC10H13Cl2N3O
Molecular Weight262.14 g/mol
Exact Mass261.04
IUPAC NameN-[2-(3,6-dichloropyridazin-4-yl)oxyethyl]-N-methylcyclopropanamine
SMILESCN(CCOc1cc(Cl)nnc1Cl)C1CC1
InChIInChI=1S/C10H13Cl2N3O/c1-15(7-2-3-7)4-5-16-8-6-9(11)13-14-10(8)12/h6-7H,2-5H2,1H3
InChIKeyKSPRQENUDZLYMH-UHFFFAOYSA-N
XLogP2.26
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121912
4-[2-[cyclopropyl(methyl)amino]ethoxy]-2,6-dimethylpyridine-3-carbothioamide
CID 102740130
4-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoic acid
CID 102741133
N-[2-(6-hydrazinylpyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine
CID 102741463
4-[2-[cyclopropyl(methyl)amino]ethoxy]-3-iodoaniline
CID 102739775
2-[2-[cyclopropyl(methyl)amino]ethoxy]-5-fluoroaniline
CID 102739824
2-[2-[cyclopropyl(methyl)amino]ethoxy]-6-propoxyaniline
CID 102739820
5-bromo-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzenecarbothioamide
CID 102740127
N-[2-[2-(aminomethyl)-4-methylphenoxy]ethyl]-N-methylcyclopropanamine
CID 114016709
3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-4-carboximidamide
CID 102740205
3-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]benzenecarbothioamide
CID 102740111
2-amino-5-[2-[cyclopropyl(methyl)amino]ethoxy]-4-fluorobenzoic acid
CID 102740359

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dichloropyridazin-4-yl)oxyethyl]-N-methylcyclopropanamine?
The IUPAC name of N-[2-(3,6-dichloropyridazin-4-yl)oxyethyl]-N-methylcyclopropanamine (CID 102740004) is N-[2-(3,6-dichloropyridazin-4-yl)oxyethyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[2-(3,6-dichloropyridazin-4-yl)oxyethyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[2-(3,6-dichloropyridazin-4-yl)oxyethyl]-N-methylcyclopropanamine is CN(CCOc1cc(Cl)nnc1Cl)C1CC1.
What is the InChIKey of N-[2-(3,6-dichloropyridazin-4-yl)oxyethyl]-N-methylcyclopropanamine?
The InChIKey is KSPRQENUDZLYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O/c1-15(7-2-3-7)4-5-16-8-6-9(11)13-14-10(8)12/h6-7H,2-5H2,1H3.
What are the key properties of N-[2-(3,6-dichloropyridazin-4-yl)oxyethyl]-N-methylcyclopropanamine?
N-[2-(3,6-dichloropyridazin-4-yl)oxyethyl]-N-methylcyclopropanamine has a molecular weight of 262.14 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dichloropyridazin-4-yl)oxyethyl]-N-methylcyclopropanamine is sourced from PubChem (CID 102740004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).