4-chloro-5-(1H-imidazol-5-ylmethylamino)-2-(2-methoxyethyl)pyridazin-3-one

C11H14ClN5O2 — CID 114439562

IUPAC4-chloro-5-(1H-imidazol-5-ylmethylamino)-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(NCc2cnc[nH]2)c(Cl)c1=O
InChIInChI=1S/C11H14ClN5O2/c1-19-3-2-17-11(18)10(12)9(6-16-17)14-5-8-4-13-7-15-8/h4,6-7,14H,2-3,5H2,1H3,(H,13,15)
InChIKeySZJXVGPIBBTCMR-UHFFFAOYSA-N
MW283.72 g/mol
LogP0.88
Rot. Bonds6

About 4-chloro-5-(1H-imidazol-5-ylmethylamino)-2-(2-methoxyethyl)pyridazin-3-one

4-chloro-5-(1H-imidazol-5-ylmethylamino)-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 114439562) has the molecular formula C11H14ClN5O2 and a molecular weight of 283.72 g/mol. Its IUPAC name is 4-chloro-5-(1H-imidazol-5-ylmethylamino)-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(1H-imidazol-5-ylmethylamino)-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID114439562
Molecular FormulaC11H14ClN5O2
Molecular Weight283.72 g/mol
Exact Mass283.08
IUPAC Name4-chloro-5-(1H-imidazol-5-ylmethylamino)-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(NCc2cnc[nH]2)c(Cl)c1=O
InChIInChI=1S/C11H14ClN5O2/c1-19-3-2-17-11(18)10(12)9(6-16-17)14-5-8-4-13-7-15-8/h4,6-7,14H,2-3,5H2,1H3,(H,13,15)
InChIKeySZJXVGPIBBTCMR-UHFFFAOYSA-N
XLogP0.88
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-2-(2-methoxyethyl)-5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridazin-3-one
CID 114434254
4-chloro-5-[2-(dimethylamino)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115573762
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-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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(1H-imidazol-5-ylmethylamino)-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(1H-imidazol-5-ylmethylamino)-2-(2-methoxyethyl)pyridazin-3-one (CID 114439562) is 4-chloro-5-(1H-imidazol-5-ylmethylamino)-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(1H-imidazol-5-ylmethylamino)-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(1H-imidazol-5-ylmethylamino)-2-(2-methoxyethyl)pyridazin-3-one is COCCn1ncc(NCc2cnc[nH]2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(1H-imidazol-5-ylmethylamino)-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is SZJXVGPIBBTCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O2/c1-19-3-2-17-11(18)10(12)9(6-16-17)14-5-8-4-13-7-15-8/h4,6-7,14H,2-3,5H2,1H3,(H,13,15).
What are the key properties of 4-chloro-5-(1H-imidazol-5-ylmethylamino)-2-(2-methoxyethyl)pyridazin-3-one?
4-chloro-5-(1H-imidazol-5-ylmethylamino)-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 283.72 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(1H-imidazol-5-ylmethylamino)-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 114439562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).