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

C11H15ClN6O2 — CID 114434254

IUPAC4-chloro-2-(2-methoxyethyl)-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridazin-3-one
SMILESCOCCn1ncc(NCc2nncn2C)c(Cl)c1=O
InChIInChI=1S/C11H15ClN6O2/c1-17-7-14-16-9(17)6-13-8-5-15-18(3-4-20-2)11(19)10(8)12/h5,7,13H,3-4,6H2,1-2H3
InChIKeyRXGVRXGQACGODN-UHFFFAOYSA-N
MW298.73 g/mol
LogP0.28
Rot. Bonds6

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

4-chloro-2-(2-methoxyethyl)-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridazin-3-one (PubChem CID 114434254) has the molecular formula C11H15ClN6O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 4-chloro-2-(2-methoxyethyl)-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-methoxyethyl)-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridazin-3-one
PubChem CID114434254
Molecular FormulaC11H15ClN6O2
Molecular Weight298.73 g/mol
Exact Mass298.09
IUPAC Name4-chloro-2-(2-methoxyethyl)-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridazin-3-one
SMILESCOCCn1ncc(NCc2nncn2C)c(Cl)c1=O
InChIInChI=1S/C11H15ClN6O2/c1-17-7-14-16-9(17)6-13-8-5-15-18(3-4-20-2)11(19)10(8)12/h5,7,13H,3-4,6H2,1-2H3
InChIKeyRXGVRXGQACGODN-UHFFFAOYSA-N
XLogP0.28
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-chloro-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-propylpyridazin-3-one
CID 106303437
4-chloro-5-[(2-hydroxy-2-methylpropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 113234186
4-chloro-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one
CID 115573801
4-chloro-5-(1H-imidazol-5-ylmethylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 114439562
4-chloro-5-[2-(dimethylamino)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115573762
4-chloro-5-[2-[ethyl(methyl)amino]ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115898938
4-chloro-2-(2-methoxyethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one
CID 114434381
4-chloro-2-(2-methoxyethyl)-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
CID 103703243
4-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115593128
4-chloro-2-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methylamino]pyridazin-3-one
CID 115586302
4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one
CID 66864935
3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]propane-1-sulfonamide
CID 114436529

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methoxyethyl)-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-methoxyethyl)-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridazin-3-one (CID 114434254) is 4-chloro-2-(2-methoxyethyl)-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-methoxyethyl)-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-methoxyethyl)-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridazin-3-one is COCCn1ncc(NCc2nncn2C)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-(2-methoxyethyl)-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridazin-3-one?
The InChIKey is RXGVRXGQACGODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6O2/c1-17-7-14-16-9(17)6-13-8-5-15-18(3-4-20-2)11(19)10(8)12/h5,7,13H,3-4,6H2,1-2H3.
What are the key properties of 4-chloro-2-(2-methoxyethyl)-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridazin-3-one?
4-chloro-2-(2-methoxyethyl)-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridazin-3-one has a molecular weight of 298.73 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methoxyethyl)-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 114434254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).