4-chloro-5-(2-hydroxyethylamino)-2-methylpyridazin-3-one

C7H10ClN3O2 — CID 12946326

IUPAC4-chloro-5-(2-hydroxyethylamino)-2-methylpyridazin-3-one
SMILESCn1ncc(NCCO)c(Cl)c1=O
InChIInChI=1S/C7H10ClN3O2/c1-11-7(13)6(8)5(4-10-11)9-2-3-12/h4,9,12H,2-3H2,1H3
InChIKeyXDEFFXSYYWYJNJ-UHFFFAOYSA-N
MW203.63 g/mol
LogP-0.16
Rot. Bonds3

About 4-chloro-5-(2-hydroxyethylamino)-2-methylpyridazin-3-one

4-chloro-5-(2-hydroxyethylamino)-2-methylpyridazin-3-one (PubChem CID 12946326) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 4-chloro-5-(2-hydroxyethylamino)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(2-hydroxyethylamino)-2-methylpyridazin-3-one
PubChem CID12946326
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name4-chloro-5-(2-hydroxyethylamino)-2-methylpyridazin-3-one
SMILESCn1ncc(NCCO)c(Cl)c1=O
InChIInChI=1S/C7H10ClN3O2/c1-11-7(13)6(8)5(4-10-11)9-2-3-12/h4,9,12H,2-3H2,1H3
InChIKeyXDEFFXSYYWYJNJ-UHFFFAOYSA-N
XLogP-0.16
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-5-(2-hydroxyethylamino)-2-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-hydroxyethylamino)-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(2-hydroxyethylamino)-2-methylpyridazin-3-one (CID 12946326) is 4-chloro-5-(2-hydroxyethylamino)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(2-hydroxyethylamino)-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(2-hydroxyethylamino)-2-methylpyridazin-3-one is Cn1ncc(NCCO)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(2-hydroxyethylamino)-2-methylpyridazin-3-one?
The InChIKey is XDEFFXSYYWYJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c1-11-7(13)6(8)5(4-10-11)9-2-3-12/h4,9,12H,2-3H2,1H3.
What are the key properties of 4-chloro-5-(2-hydroxyethylamino)-2-methylpyridazin-3-one?
4-chloro-5-(2-hydroxyethylamino)-2-methylpyridazin-3-one has a molecular weight of 203.63 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-hydroxyethylamino)-2-methylpyridazin-3-one is sourced from PubChem (CID 12946326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).