2-(3-amino-2-hydroxypropyl)-6-methoxypyridazin-3-one

C8H13N3O3 — CID 105061739

IUPAC2-(3-amino-2-hydroxypropyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(O)CN)n1
InChIInChI=1S/C8H13N3O3/c1-14-7-2-3-8(13)11(10-7)5-6(12)4-9/h2-3,6,12H,4-5,9H2,1H3
InChIKeyCRTRLIKIXNRUOY-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.43
Rot. Bonds4

About 2-(3-amino-2-hydroxypropyl)-6-methoxypyridazin-3-one

2-(3-amino-2-hydroxypropyl)-6-methoxypyridazin-3-one (PubChem CID 105061739) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-(3-amino-2-hydroxypropyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(3-amino-2-hydroxypropyl)-6-methoxypyridazin-3-one
PubChem CID105061739
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-(3-amino-2-hydroxypropyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(O)CN)n1
InChIInChI=1S/C8H13N3O3/c1-14-7-2-3-8(13)11(10-7)5-6(12)4-9/h2-3,6,12H,4-5,9H2,1H3
InChIKeyCRTRLIKIXNRUOY-UHFFFAOYSA-N
XLogP-1.43
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-hydroxypropyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(3-amino-2-hydroxypropyl)-6-methoxypyridazin-3-one (CID 105061739) is 2-(3-amino-2-hydroxypropyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(3-amino-2-hydroxypropyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(3-amino-2-hydroxypropyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CC(O)CN)n1.
What is the InChIKey of 2-(3-amino-2-hydroxypropyl)-6-methoxypyridazin-3-one?
The InChIKey is CRTRLIKIXNRUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-14-7-2-3-8(13)11(10-7)5-6(12)4-9/h2-3,6,12H,4-5,9H2,1H3.
What are the key properties of 2-(3-amino-2-hydroxypropyl)-6-methoxypyridazin-3-one?
2-(3-amino-2-hydroxypropyl)-6-methoxypyridazin-3-one has a molecular weight of 199.21 g/mol, XLogP of -1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-hydroxypropyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).