2-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione

C9H15N3O3 — CID 63270947

IUPAC2-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(CC(O)CN)[nH]c1=O
InChIInChI=1S/C9H15N3O3/c1-5-6(2)9(15)12(11-8(5)14)4-7(13)3-10/h7,13H,3-4,10H2,1-2H3,(H,11,14)
InChIKeyRSBKSAYIOLZFHQ-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.53
Rot. Bonds3

About 2-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione

2-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione (PubChem CID 63270947) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
PubChem CID63270947
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(CC(O)CN)[nH]c1=O
InChIInChI=1S/C9H15N3O3/c1-5-6(2)9(15)12(11-8(5)14)4-7(13)3-10/h7,13H,3-4,10H2,1-2H3,(H,11,14)
InChIKeyRSBKSAYIOLZFHQ-UHFFFAOYSA-N
XLogP-1.53
TPSA101.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-Hydroxy-2-(2-hydroxyethyl)-4-methyl-2,3-dihydropyridazin-3-one
CID 2738075
1-(3-Fluoro-2-hydroxypropyl)-4,5-dimethyl-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 165594693
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-[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-[2-hydroxy-3-(methylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63270948

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione (CID 63270947) is 2-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione is Cc1c(C)c(=O)n(CC(O)CN)[nH]c1=O.
What is the InChIKey of 2-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The InChIKey is RSBKSAYIOLZFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-5-6(2)9(15)12(11-8(5)14)4-7(13)3-10/h7,13H,3-4,10H2,1-2H3,(H,11,14).
What are the key properties of 2-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
2-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione has a molecular weight of 213.24 g/mol, XLogP of -1.53, 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)-4,5-dimethyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 63270947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).