6-(2-hydroxyethylamino)-2-propan-2-ylpyridazin-3-one

C9H15N3O2 — CID 138467612

IUPAC6-(2-hydroxyethylamino)-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(NCCO)ccc1=O
InChIInChI=1S/C9H15N3O2/c1-7(2)12-9(14)4-3-8(11-12)10-5-6-13/h3-4,7,13H,5-6H2,1-2H3,(H,10,11)
InChIKeyRDHGFXNHXHAYGC-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.23
Rot. Bonds4

About 6-(2-hydroxyethylamino)-2-propan-2-ylpyridazin-3-one

6-(2-hydroxyethylamino)-2-propan-2-ylpyridazin-3-one (PubChem CID 138467612) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 6-(2-hydroxyethylamino)-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-(2-hydroxyethylamino)-2-propan-2-ylpyridazin-3-one
PubChem CID138467612
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name6-(2-hydroxyethylamino)-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(NCCO)ccc1=O
InChIInChI=1S/C9H15N3O2/c1-7(2)12-9(14)4-3-8(11-12)10-5-6-13/h3-4,7,13H,5-6H2,1-2H3,(H,10,11)
InChIKeyRDHGFXNHXHAYGC-UHFFFAOYSA-N
XLogP0.23
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethylamino)-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-(2-hydroxyethylamino)-2-propan-2-ylpyridazin-3-one (CID 138467612) is 6-(2-hydroxyethylamino)-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-(2-hydroxyethylamino)-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-(2-hydroxyethylamino)-2-propan-2-ylpyridazin-3-one is CC(C)n1nc(NCCO)ccc1=O.
What is the InChIKey of 6-(2-hydroxyethylamino)-2-propan-2-ylpyridazin-3-one?
The InChIKey is RDHGFXNHXHAYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7(2)12-9(14)4-3-8(11-12)10-5-6-13/h3-4,7,13H,5-6H2,1-2H3,(H,10,11).
What are the key properties of 6-(2-hydroxyethylamino)-2-propan-2-ylpyridazin-3-one?
6-(2-hydroxyethylamino)-2-propan-2-ylpyridazin-3-one has a molecular weight of 197.24 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethylamino)-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 138467612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).