4,5-dichloro-2-(3-methoxy-3-methylbutyl)pyridazin-3-one

C10H14Cl2N2O2 — CID 102974987

IUPAC4,5-dichloro-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
SMILESCOC(C)(C)CCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H14Cl2N2O2/c1-10(2,16-3)4-5-14-9(15)8(12)7(11)6-13-14/h6H,4-5H2,1-3H3
InChIKeyKZNHQGOFRXPTME-UHFFFAOYSA-N
MW265.14 g/mol
LogP2.37
Rot. Bonds4

About 4,5-dichloro-2-(3-methoxy-3-methylbutyl)pyridazin-3-one

4,5-dichloro-2-(3-methoxy-3-methylbutyl)pyridazin-3-one (PubChem CID 102974987) has the molecular formula C10H14Cl2N2O2 and a molecular weight of 265.14 g/mol. Its IUPAC name is 4,5-dichloro-2-(3-methoxy-3-methylbutyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
PubChem CID102974987
Molecular FormulaC10H14Cl2N2O2
Molecular Weight265.14 g/mol
Exact Mass264.04
IUPAC Name4,5-dichloro-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
SMILESCOC(C)(C)CCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H14Cl2N2O2/c1-10(2,16-3)4-5-14-9(15)8(12)7(11)6-13-14/h6H,4-5H2,1-3H3
InChIKeyKZNHQGOFRXPTME-UHFFFAOYSA-N
XLogP2.37
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one
CID 66864935
2-(bromomethyl)-4,5-dichloropyridazin-3-one
CID 4612286
4-chloro-5-[(2-methoxy-2-methylpropyl)amino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114441809
4,5-dichloro-2-[2-(2-chlorophenoxy)ethyl]pyridazin-3-one
CID 78761108
2-(butoxymethyl)-4,5-dichloropyridazin-3-one
CID 70995502
4,5-dichloro-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 7419620
4-chloro-5-[(2-hydroxy-2-methylpropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 113234186
4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114442139
4,5-ditert-butyl-2-propylpyridazin-3-one
CID 23552383
4-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]-2-methoxybenzonitrile
CID 106793163
(4,5-dichloro-6-oxopyridazin-1-yl)methyl 2-chlorobenzoate
CID 1474461
4,5-dichloro-2-(thiophen-3-ylmethyl)pyridazin-3-one
CID 114386429

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(3-methoxy-3-methylbutyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(3-methoxy-3-methylbutyl)pyridazin-3-one (CID 102974987) is 4,5-dichloro-2-(3-methoxy-3-methylbutyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(3-methoxy-3-methylbutyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(3-methoxy-3-methylbutyl)pyridazin-3-one is COC(C)(C)CCn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-(3-methoxy-3-methylbutyl)pyridazin-3-one?
The InChIKey is KZNHQGOFRXPTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2/c1-10(2,16-3)4-5-14-9(15)8(12)7(11)6-13-14/h6H,4-5H2,1-3H3.
What are the key properties of 4,5-dichloro-2-(3-methoxy-3-methylbutyl)pyridazin-3-one?
4,5-dichloro-2-(3-methoxy-3-methylbutyl)pyridazin-3-one has a molecular weight of 265.14 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(3-methoxy-3-methylbutyl)pyridazin-3-one is sourced from PubChem (CID 102974987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).