2-(3-amino-2-hydroxypropyl)-1H-pyridazine-3,6-dione

C7H11N3O3 — CID 16793144

IUPAC2-(3-amino-2-hydroxypropyl)-1H-pyridazine-3,6-dione
SMILESNCC(O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C7H11N3O3/c8-3-5(11)4-10-7(13)2-1-6(12)9-10/h1-2,5,11H,3-4,8H2,(H,9,12)
InChIKeySXEPLJILOKLABB-UHFFFAOYSA-N
MW185.18 g/mol
LogP-2.14
Rot. Bonds3

About 2-(3-amino-2-hydroxypropyl)-1H-pyridazine-3,6-dione

2-(3-amino-2-hydroxypropyl)-1H-pyridazine-3,6-dione (PubChem CID 16793144) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-(3-amino-2-hydroxypropyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(3-amino-2-hydroxypropyl)-1H-pyridazine-3,6-dione
PubChem CID16793144
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-(3-amino-2-hydroxypropyl)-1H-pyridazine-3,6-dione
SMILESNCC(O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C7H11N3O3/c8-3-5(11)4-10-7(13)2-1-6(12)9-10/h1-2,5,11H,3-4,8H2,(H,9,12)
InChIKeySXEPLJILOKLABB-UHFFFAOYSA-N
XLogP-2.14
TPSA101.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-2.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-ethyl-N'-(2-hydroxyethyl)prop-2-enehydrazide
CID 140406389
2-(2-Hydroxyethyl)-1,3-dihydropyridazin-6-one
CID 173040073
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
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-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxypropyl)acetamide
CID 43501159

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-hydroxypropyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(3-amino-2-hydroxypropyl)-1H-pyridazine-3,6-dione (CID 16793144) is 2-(3-amino-2-hydroxypropyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(3-amino-2-hydroxypropyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(3-amino-2-hydroxypropyl)-1H-pyridazine-3,6-dione is NCC(O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3-amino-2-hydroxypropyl)-1H-pyridazine-3,6-dione?
The InChIKey is SXEPLJILOKLABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c8-3-5(11)4-10-7(13)2-1-6(12)9-10/h1-2,5,11H,3-4,8H2,(H,9,12).
What are the key properties of 2-(3-amino-2-hydroxypropyl)-1H-pyridazine-3,6-dione?
2-(3-amino-2-hydroxypropyl)-1H-pyridazine-3,6-dione has a molecular weight of 185.18 g/mol, XLogP of -2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-hydroxypropyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 16793144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).