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

C12H21N3O3 — CID 63270992

IUPAC2-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(CC(O)CNC(C)C)[nH]c1=O
InChIInChI=1S/C12H21N3O3/c1-7(2)13-5-10(16)6-15-12(18)9(4)8(3)11(17)14-15/h7,10,13,16H,5-6H2,1-4H3,(H,14,17)
InChIKeyLOEBWZNQDNHRDZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.49
Rot. Bonds5

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

2-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione (PubChem CID 63270992) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
PubChem CID63270992
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(CC(O)CNC(C)C)[nH]c1=O
InChIInChI=1S/C12H21N3O3/c1-7(2)13-5-10(16)6-15-12(18)9(4)8(3)11(17)14-15/h7,10,13,16H,5-6H2,1-4H3,(H,14,17)
InChIKeyLOEBWZNQDNHRDZ-UHFFFAOYSA-N
XLogP-0.49
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-Fluoro-2-hydroxypropyl)-4,5-dimethyl-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 165594693
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
4,5-dimethyl-2-[3-(propan-2-ylamino)propyl]-1H-pyridazine-3,6-dione
CID 55168717
2-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63270947
2-[2-hydroxy-3-(methylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63270948
2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63270949
2-[2-hydroxy-3-(propylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63270993

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione (CID 63270992) is 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione is Cc1c(C)c(=O)n(CC(O)CNC(C)C)[nH]c1=O.
What is the InChIKey of 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The InChIKey is LOEBWZNQDNHRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-7(2)13-5-10(16)6-15-12(18)9(4)8(3)11(17)14-15/h7,10,13,16H,5-6H2,1-4H3,(H,14,17).
What are the key properties of 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
2-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione has a molecular weight of 255.32 g/mol, XLogP of -0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 63270992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).