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

C10H15N3O3 — CID 43165955

IUPAC2-[3-(cyclopropylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(CC(O)CNC2CC2)[nH]1
InChIInChI=1S/C10H15N3O3/c14-8(5-11-7-1-2-7)6-13-10(16)4-3-9(15)12-13/h3-4,7-8,11,14H,1-2,5-6H2,(H,12,15)
InChIKeyBTKYLZAIHSCEHG-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.35
Rot. Bonds5

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

2-[3-(cyclopropylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione (PubChem CID 43165955) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[3-(cyclopropylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[3-(cyclopropylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione
PubChem CID43165955
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[3-(cyclopropylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(CC(O)CNC2CC2)[nH]1
InChIInChI=1S/C10H15N3O3/c14-8(5-11-7-1-2-7)6-13-10(16)4-3-9(15)12-13/h3-4,7-8,11,14H,1-2,5-6H2,(H,12,15)
InChIKeyBTKYLZAIHSCEHG-UHFFFAOYSA-N
XLogP-1.35
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[3-(cyclopropylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione (CID 43165955) is 2-[3-(cyclopropylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[3-(cyclopropylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[3-(cyclopropylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione is O=c1ccc(=O)n(CC(O)CNC2CC2)[nH]1.
What is the InChIKey of 2-[3-(cyclopropylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione?
The InChIKey is BTKYLZAIHSCEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c14-8(5-11-7-1-2-7)6-13-10(16)4-3-9(15)12-13/h3-4,7-8,11,14H,1-2,5-6H2,(H,12,15).
What are the key properties of 2-[3-(cyclopropylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione?
2-[3-(cyclopropylamino)-2-hydroxypropyl]-1H-pyridazine-3,6-dione has a molecular weight of 225.25 g/mol, XLogP of -1.35, 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]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 43165955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).