4-bromo-2-(2-hydroxyethyl)-5-(3-methylpiperazin-1-yl)pyridazin-3-one

C11H17BrN4O2 — CID 114445774

IUPAC4-bromo-2-(2-hydroxyethyl)-5-(3-methylpiperazin-1-yl)pyridazin-3-one
SMILESCC1CN(c2cnn(CCO)c(=O)c2Br)CCN1
InChIInChI=1S/C11H17BrN4O2/c1-8-7-15(3-2-13-8)9-6-14-16(4-5-17)11(18)10(9)12/h6,8,13,17H,2-5,7H2,1H3
InChIKeyGWMZNXPXHCZWFM-UHFFFAOYSA-N
MW317.19 g/mol
LogP-0.20
Rot. Bonds3

About 4-bromo-2-(2-hydroxyethyl)-5-(3-methylpiperazin-1-yl)pyridazin-3-one

4-bromo-2-(2-hydroxyethyl)-5-(3-methylpiperazin-1-yl)pyridazin-3-one (PubChem CID 114445774) has the molecular formula C11H17BrN4O2 and a molecular weight of 317.19 g/mol. Its IUPAC name is 4-bromo-2-(2-hydroxyethyl)-5-(3-methylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(2-hydroxyethyl)-5-(3-methylpiperazin-1-yl)pyridazin-3-one
PubChem CID114445774
Molecular FormulaC11H17BrN4O2
Molecular Weight317.19 g/mol
Exact Mass316.05
IUPAC Name4-bromo-2-(2-hydroxyethyl)-5-(3-methylpiperazin-1-yl)pyridazin-3-one
SMILESCC1CN(c2cnn(CCO)c(=O)c2Br)CCN1
InChIInChI=1S/C11H17BrN4O2/c1-8-7-15(3-2-13-8)9-6-14-16(4-5-17)11(18)10(9)12/h6,8,13,17H,2-5,7H2,1H3
InChIKeyGWMZNXPXHCZWFM-UHFFFAOYSA-N
XLogP-0.20
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-2-ethyl-5-[(3R)-3-methylpiperazin-1-yl]pyridazin-3-one
CID 104976047
4-bromo-5-(3,5-dimethylpiperazin-1-yl)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114445229
5-(3-amino-4-methylpiperidin-1-yl)-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one
CID 114445381
4-bromo-5-[(3S)-3-methylpiperazin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 104977432
4-bromo-2-(2-hydroxyethyl)-5-[4-(methylamino)piperidin-1-yl]pyridazin-3-one
CID 114443580
2-butyl-4-chloro-5-(3-methylpiperazin-1-yl)pyridazin-3-one
CID 114445759
4-chloro-5-[(3R)-3-methylpiperazin-1-yl]-2-(2-methylpropyl)pyridazin-3-one
CID 104976171
4-bromo-5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-propylpyridazin-3-one
CID 114446954
4-bromo-2-(cyclopropylmethyl)-5-(3,5-dimethylpiperazin-1-yl)pyridazin-3-one
CID 114445214
5-(4-amino-3-ethylpiperidin-1-yl)-4-bromo-2-propylpyridazin-3-one
CID 114446601
5-(3-amino-4-methylpiperidin-1-yl)-4-bromo-2-(2-methoxyethyl)pyridazin-3-one
CID 114445372
4-chloro-2-(2-hydroxyethyl)-5-(3-piperazin-1-ylazetidin-1-yl)pyridazin-3-one
CID 114446079

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-hydroxyethyl)-5-(3-methylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 4-bromo-2-(2-hydroxyethyl)-5-(3-methylpiperazin-1-yl)pyridazin-3-one (CID 114445774) is 4-bromo-2-(2-hydroxyethyl)-5-(3-methylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(2-hydroxyethyl)-5-(3-methylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(2-hydroxyethyl)-5-(3-methylpiperazin-1-yl)pyridazin-3-one is CC1CN(c2cnn(CCO)c(=O)c2Br)CCN1.
What is the InChIKey of 4-bromo-2-(2-hydroxyethyl)-5-(3-methylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is GWMZNXPXHCZWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O2/c1-8-7-15(3-2-13-8)9-6-14-16(4-5-17)11(18)10(9)12/h6,8,13,17H,2-5,7H2,1H3.
What are the key properties of 4-bromo-2-(2-hydroxyethyl)-5-(3-methylpiperazin-1-yl)pyridazin-3-one?
4-bromo-2-(2-hydroxyethyl)-5-(3-methylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 317.19 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-hydroxyethyl)-5-(3-methylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 114445774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).