4-chloro-2-(2-methoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazin-3-one

C13H18ClN5O2 — CID 104696007

IUPAC4-chloro-2-(2-methoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazin-3-one
SMILESCOCCn1ncc(NCCc2ccnn2C)c(Cl)c1=O
InChIInChI=1S/C13H18ClN5O2/c1-18-10(4-6-16-18)3-5-15-11-9-17-19(7-8-21-2)13(20)12(11)14/h4,6,9,15H,3,5,7-8H2,1-2H3
InChIKeyFESHFALMPRLJDD-UHFFFAOYSA-N
MW311.77 g/mol
LogP0.93
Rot. Bonds7

About 4-chloro-2-(2-methoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazin-3-one

4-chloro-2-(2-methoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazin-3-one (PubChem CID 104696007) has the molecular formula C13H18ClN5O2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 4-chloro-2-(2-methoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-methoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazin-3-one
PubChem CID104696007
Molecular FormulaC13H18ClN5O2
Molecular Weight311.77 g/mol
Exact Mass311.11
IUPAC Name4-chloro-2-(2-methoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazin-3-one
SMILESCOCCn1ncc(NCCc2ccnn2C)c(Cl)c1=O
InChIInChI=1S/C13H18ClN5O2/c1-18-10(4-6-16-18)3-5-15-11-9-17-19(7-8-21-2)13(20)12(11)14/h4,6,9,15H,3,5,7-8H2,1-2H3
InChIKeyFESHFALMPRLJDD-UHFFFAOYSA-N
XLogP0.93
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-5-[2-(2-methylpyrazol-3-yl)ethylamino]-2-propylpyridazin-3-one
CID 103007686
4-chloro-5-[2-(dimethylamino)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115573762
4-chloro-5-[(2-hydroxy-2-methylpropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 113234186
4-chloro-2-(2-methoxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one
CID 115744819
4-chloro-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 103844265
4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one
CID 115579123
4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 113236537
4-chloro-2-(2-methoxyethyl)-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridazin-3-one
CID 107488362
4-chloro-5-[2-[ethyl(methyl)amino]ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115898938
4-chloro-2-(2-methoxyethyl)-5-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazin-3-one
CID 115681445
3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]propane-1-sulfonamide
CID 114436529
4-chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-methoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazin-3-one (CID 104696007) is 4-chloro-2-(2-methoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-methoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-methoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazin-3-one is COCCn1ncc(NCCc2ccnn2C)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-(2-methoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazin-3-one?
The InChIKey is FESHFALMPRLJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O2/c1-18-10(4-6-16-18)3-5-15-11-9-17-19(7-8-21-2)13(20)12(11)14/h4,6,9,15H,3,5,7-8H2,1-2H3.
What are the key properties of 4-chloro-2-(2-methoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazin-3-one?
4-chloro-2-(2-methoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazin-3-one has a molecular weight of 311.77 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 104696007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).