4-chloro-2-(2-methoxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one

C11H15ClN6O2 — CID 115744819

IUPAC4-chloro-2-(2-methoxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one
SMILESCOCCn1ncc(NCCc2ncn[nH]2)c(Cl)c1=O
InChIInChI=1S/C11H15ClN6O2/c1-20-5-4-18-11(19)10(12)8(6-16-18)13-3-2-9-14-7-15-17-9/h6-7,13H,2-5H2,1H3,(H,14,15,17)
InChIKeyCWSQJIMJDXFKAE-UHFFFAOYSA-N
MW298.73 g/mol
LogP0.32
Rot. Bonds7

About 4-chloro-2-(2-methoxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one

4-chloro-2-(2-methoxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one (PubChem CID 115744819) has the molecular formula C11H15ClN6O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 4-chloro-2-(2-methoxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-methoxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one
PubChem CID115744819
Molecular FormulaC11H15ClN6O2
Molecular Weight298.73 g/mol
Exact Mass298.09
IUPAC Name4-chloro-2-(2-methoxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one
SMILESCOCCn1ncc(NCCc2ncn[nH]2)c(Cl)c1=O
InChIInChI=1S/C11H15ClN6O2/c1-20-5-4-18-11(19)10(12)8(6-16-18)13-3-2-9-14-7-15-17-9/h6-7,13H,2-5H2,1H3,(H,14,15,17)
InChIKeyCWSQJIMJDXFKAE-UHFFFAOYSA-N
XLogP0.32
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-chloro-2-(2-methoxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one with MolForge

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Related Compounds

4-chloro-2-(2-hydroxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one
CID 114438849
methyl 2-[5-chloro-6-oxo-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-1-yl]acetate
CID 114438844
4-chloro-5-[2-(dimethylamino)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115573762
4-chloro-2-(2-methoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazin-3-one
CID 104696007
4-chloro-2-(2-methoxyethyl)-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridazin-3-one
CID 107488362
4-chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 103081526
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-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
4-chloro-5-[(2-hydroxy-2-methylpropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 113234186

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methoxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-methoxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one (CID 115744819) is 4-chloro-2-(2-methoxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-methoxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-methoxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one is COCCn1ncc(NCCc2ncn[nH]2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-(2-methoxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one?
The InChIKey is CWSQJIMJDXFKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6O2/c1-20-5-4-18-11(19)10(12)8(6-16-18)13-3-2-9-14-7-15-17-9/h6-7,13H,2-5H2,1H3,(H,14,15,17).
What are the key properties of 4-chloro-2-(2-methoxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one?
4-chloro-2-(2-methoxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one has a molecular weight of 298.73 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methoxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 115744819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).