2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione

C12H19N3O3 — CID 63270949

IUPAC2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(CC(O)CNC2CC2)[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-7-8(2)12(18)15(14-11(7)17)6-10(16)5-13-9-3-4-9/h9-10,13,16H,3-6H2,1-2H3,(H,14,17)
InChIKeyNYYZSRDUSYBBON-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.73
Rot. Bonds5

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

2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione (PubChem CID 63270949) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
PubChem CID63270949
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(CC(O)CNC2CC2)[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-7-8(2)12(18)15(14-11(7)17)6-10(16)5-13-9-3-4-9/h9-10,13,16H,3-6H2,1-2H3,(H,14,17)
InChIKeyNYYZSRDUSYBBON-UHFFFAOYSA-N
XLogP-0.73
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-[3-(ethylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 55168532
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-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63270992
2-[2-hydroxy-3-(propylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63270993
2-(2-hydroxypropyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63271125
2-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63271130
2-[3-(cyclopropylamino)-2-methylpropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 64231715
2-(3-hydroxybutan-2-yl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 80076892
2-[3-(tert-butylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione
CID 113317650

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione (CID 63270949) is 2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione is Cc1c(C)c(=O)n(CC(O)CNC2CC2)[nH]c1=O.
What is the InChIKey of 2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The InChIKey is NYYZSRDUSYBBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-7-8(2)12(18)15(14-11(7)17)6-10(16)5-13-9-3-4-9/h9-10,13,16H,3-6H2,1-2H3,(H,14,17).
What are the key properties of 2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione has a molecular weight of 253.30 g/mol, XLogP of -0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 63270949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).