2-[2-hydroxy-3-(methylamino)propyl]-1H-pyridazine-3,6-dione

C8H13N3O3 — CID 43187955

IUPAC2-[2-hydroxy-3-(methylamino)propyl]-1H-pyridazine-3,6-dione
SMILESCNCC(O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H13N3O3/c1-9-4-6(12)5-11-8(14)3-2-7(13)10-11/h2-3,6,9,12H,4-5H2,1H3,(H,10,13)
InChIKeyNUASVTVBFOEBED-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.88
Rot. Bonds4

About 2-[2-hydroxy-3-(methylamino)propyl]-1H-pyridazine-3,6-dione

2-[2-hydroxy-3-(methylamino)propyl]-1H-pyridazine-3,6-dione (PubChem CID 43187955) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(methylamino)propyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-hydroxy-3-(methylamino)propyl]-1H-pyridazine-3,6-dione
PubChem CID43187955
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-[2-hydroxy-3-(methylamino)propyl]-1H-pyridazine-3,6-dione
SMILESCNCC(O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H13N3O3/c1-9-4-6(12)5-11-8(14)3-2-7(13)10-11/h2-3,6,9,12H,4-5H2,1H3,(H,10,13)
InChIKeyNUASVTVBFOEBED-UHFFFAOYSA-N
XLogP-1.88
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Maleic hydrazide diethanolamine
CID 21953
6-Hydroxy-2-(2-hydroxyethyl)-2,3-dihydropyridazin-3-one
CID 228461
1-(3-Fluoro-2-hydroxypropyl)-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 165595566
(E)-N'-(2-hydroxypropyl)but-2-enediamide
CID 21760079
N',N'-bis(2-hydroxypropyl)prop-2-enehydrazide
CID 87130081
N'-(2-hydroxypropyl)but-2-enediamide
CID 173363492
2-(3-amino-2-hydroxypropyl)-1H-pyridazine-3,6-dione
CID 16793144
2-[(2R)-3-amino-2-hydroxypropyl]-1H-pyridazine-3,6-dione
CID 30122873
2-[(2S)-3-amino-2-hydroxypropyl]-1H-pyridazine-3,6-dione
CID 30122875
2-[3-(cyclopropylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione
CID 43165955
2-[2-hydroxy-3-(propan-2-ylamino)propyl]-1H-pyridazine-3,6-dione
CID 43165956
2-[2-hydroxy-3-(propylamino)propyl]-1H-pyridazine-3,6-dione
CID 43165957

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(methylamino)propyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-hydroxy-3-(methylamino)propyl]-1H-pyridazine-3,6-dione (CID 43187955) is 2-[2-hydroxy-3-(methylamino)propyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-hydroxy-3-(methylamino)propyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-hydroxy-3-(methylamino)propyl]-1H-pyridazine-3,6-dione is CNCC(O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[2-hydroxy-3-(methylamino)propyl]-1H-pyridazine-3,6-dione?
The InChIKey is NUASVTVBFOEBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-9-4-6(12)5-11-8(14)3-2-7(13)10-11/h2-3,6,9,12H,4-5H2,1H3,(H,10,13).
What are the key properties of 2-[2-hydroxy-3-(methylamino)propyl]-1H-pyridazine-3,6-dione?
2-[2-hydroxy-3-(methylamino)propyl]-1H-pyridazine-3,6-dione has a molecular weight of 199.21 g/mol, XLogP of -1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(methylamino)propyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 43187955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).