2-[2-hydroxy-3-(methylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione

C10H17N3O3 — CID 63270948

IUPAC2-[2-hydroxy-3-(methylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCNCC(O)Cn1[nH]c(=O)c(C)c(C)c1=O
InChIInChI=1S/C10H17N3O3/c1-6-7(2)10(16)13(12-9(6)15)5-8(14)4-11-3/h8,11,14H,4-5H2,1-3H3,(H,12,15)
InChIKeyVAEZAOGBZNCXNC-UHFFFAOYSA-N
MW227.26 g/mol
LogP-1.27
Rot. Bonds4

About 2-[2-hydroxy-3-(methylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione

2-[2-hydroxy-3-(methylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione (PubChem CID 63270948) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(methylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-hydroxy-3-(methylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
PubChem CID63270948
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-[2-hydroxy-3-(methylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCNCC(O)Cn1[nH]c(=O)c(C)c(C)c1=O
InChIInChI=1S/C10H17N3O3/c1-6-7(2)10(16)13(12-9(6)15)5-8(14)4-11-3/h8,11,14H,4-5H2,1-3H3,(H,12,15)
InChIKeyVAEZAOGBZNCXNC-UHFFFAOYSA-N
XLogP-1.27
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Fluoro-2-hydroxypropyl)-4,5-dimethyl-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 165594693
N-(2-hydroxypropyl)-2,3-dimethylbut-2-enamide
CID 123663796
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
2-[3-(ethylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione
CID 43165958
2-[2-hydroxy-3-(methylamino)propyl]-1H-pyridazine-3,6-dione
CID 43187955
2-(3-amino-2-ethoxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 55168529
2-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 55168532
2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 55168716
2-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63270947
2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63270949
2-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63270992

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(methylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-hydroxy-3-(methylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione (CID 63270948) is 2-[2-hydroxy-3-(methylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-hydroxy-3-(methylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-hydroxy-3-(methylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione is CNCC(O)Cn1[nH]c(=O)c(C)c(C)c1=O.
What is the InChIKey of 2-[2-hydroxy-3-(methylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The InChIKey is VAEZAOGBZNCXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-6-7(2)10(16)13(12-9(6)15)5-8(14)4-11-3/h8,11,14H,4-5H2,1-3H3,(H,12,15).
What are the key properties of 2-[2-hydroxy-3-(methylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
2-[2-hydroxy-3-(methylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione has a molecular weight of 227.26 g/mol, XLogP of -1.27, 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]-4,5-dimethyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 63270948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).