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

C12H19N3O2 — CID 63271130

IUPAC2-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(CCCNC2CC2)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-8-9(2)12(17)15(14-11(8)16)7-3-6-13-10-4-5-10/h10,13H,3-7H2,1-2H3,(H,14,16)
InChIKeyMKDUFTAFTAOQPX-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.30
Rot. Bonds5

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

2-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione (PubChem CID 63271130) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
PubChem CID63271130
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(CCCNC2CC2)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-8-9(2)12(17)15(14-11(8)16)7-3-6-13-10-4-5-10/h10,13H,3-7H2,1-2H3,(H,14,16)
InChIKeyMKDUFTAFTAOQPX-UHFFFAOYSA-N
XLogP0.30
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione (CID 63271130) is 2-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione is Cc1c(C)c(=O)n(CCCNC2CC2)[nH]c1=O.
What is the InChIKey of 2-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The InChIKey is MKDUFTAFTAOQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-9(2)12(17)15(14-11(8)16)7-3-6-13-10-4-5-10/h10,13H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 2-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
2-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione has a molecular weight of 237.30 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 63271130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).