2-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one

C11H17N3O3 — CID 105061740

IUPAC2-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(O)CNC2CC2)n1
InChIInChI=1S/C11H17N3O3/c1-17-10-4-5-11(16)14(13-10)7-9(15)6-12-8-2-3-8/h4-5,8-9,12,15H,2-3,6-7H2,1H3
InChIKeyFDDYXKQHGDLTIJ-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.64
Rot. Bonds6

About 2-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one

2-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one (PubChem CID 105061740) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one
PubChem CID105061740
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(O)CNC2CC2)n1
InChIInChI=1S/C11H17N3O3/c1-17-10-4-5-11(16)14(13-10)7-9(15)6-12-8-2-3-8/h4-5,8-9,12,15H,2-3,6-7H2,1H3
InChIKeyFDDYXKQHGDLTIJ-UHFFFAOYSA-N
XLogP-0.64
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(Cyclopropylamino)-2-hydroxypropyl]pyridazin-3-one
CID 62848730
2-[2-Hydroxy-3-(propan-2-ylamino)propyl]pyridazin-3-one
CID 62848901
2-[2-Hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyridazin-3-one
CID 62923560
2-[3-(Cyclopropylamino)-2-hydroxypropyl]-6-methylpyridazin-3-one
CID 62923722
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl]-6-methoxypyridazin-3-one
CID 103073144
2-(3-Amino-2-ethoxypropyl)-6-methoxypyridazin-3-one
CID 105061525
6-Methoxy-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one
CID 105061625
6-Methoxy-2-[3-(propylamino)butyl]pyridazin-3-one
CID 105061649
2-[3-(Cyclopropylamino)propyl]-6-methoxypyridazin-3-one
CID 105061650
6-Methoxy-2-[3-(methylamino)butyl]pyridazin-3-one
CID 105061685
2-[3-(Ethylamino)butyl]-6-methoxypyridazin-3-one
CID 105061729
2-[2-Hydroxy-3-(methylamino)propyl]-6-methoxypyridazin-3-one
CID 105061735

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one (CID 105061740) is 2-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one is COc1ccc(=O)n(CC(O)CNC2CC2)n1.
What is the InChIKey of 2-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one?
The InChIKey is FDDYXKQHGDLTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-17-10-4-5-11(16)14(13-10)7-9(15)6-12-8-2-3-8/h4-5,8-9,12,15H,2-3,6-7H2,1H3.
What are the key properties of 2-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one?
2-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one has a molecular weight of 239.27 g/mol, XLogP of -0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylamino)-2-hydroxypropyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).