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

C10H15N3O2 — CID 61387019

IUPAC2-[3-(cyclopropylamino)propyl]-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(CCCNC2CC2)[nH]1
InChIInChI=1S/C10H15N3O2/c14-9-4-5-10(15)13(12-9)7-1-6-11-8-2-3-8/h4-5,8,11H,1-3,6-7H2,(H,12,14)
InChIKeyGQOQEBDKRLLZRQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.32
Rot. Bonds5

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

2-[3-(cyclopropylamino)propyl]-1H-pyridazine-3,6-dione (PubChem CID 61387019) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[3-(cyclopropylamino)propyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[3-(cyclopropylamino)propyl]-1H-pyridazine-3,6-dione
PubChem CID61387019
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-[3-(cyclopropylamino)propyl]-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(CCCNC2CC2)[nH]1
InChIInChI=1S/C10H15N3O2/c14-9-4-5-10(15)13(12-9)7-1-6-11-8-2-3-8/h4-5,8,11H,1-3,6-7H2,(H,12,14)
InChIKeyGQOQEBDKRLLZRQ-UHFFFAOYSA-N
XLogP-0.32
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.32
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]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[3-(cyclopropylamino)propyl]-1H-pyridazine-3,6-dione (CID 61387019) is 2-[3-(cyclopropylamino)propyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[3-(cyclopropylamino)propyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[3-(cyclopropylamino)propyl]-1H-pyridazine-3,6-dione is O=c1ccc(=O)n(CCCNC2CC2)[nH]1.
What is the InChIKey of 2-[3-(cyclopropylamino)propyl]-1H-pyridazine-3,6-dione?
The InChIKey is GQOQEBDKRLLZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-9-4-5-10(15)13(12-9)7-1-6-11-8-2-3-8/h4-5,8,11H,1-3,6-7H2,(H,12,14).
What are the key properties of 2-[3-(cyclopropylamino)propyl]-1H-pyridazine-3,6-dione?
2-[3-(cyclopropylamino)propyl]-1H-pyridazine-3,6-dione has a molecular weight of 209.25 g/mol, XLogP of -0.32, 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]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 61387019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).