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

C9H13N3O2 — CID 61386992

IUPAC2-[2-(cyclopropylamino)ethyl]-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(CCNC2CC2)[nH]1
InChIInChI=1S/C9H13N3O2/c13-8-3-4-9(14)12(11-8)6-5-10-7-1-2-7/h3-4,7,10H,1-2,5-6H2,(H,11,13)
InChIKeyOOYNHQHMZLOCMI-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.71
Rot. Bonds4

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

2-[2-(cyclopropylamino)ethyl]-1H-pyridazine-3,6-dione (PubChem CID 61386992) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[2-(cyclopropylamino)ethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(cyclopropylamino)ethyl]-1H-pyridazine-3,6-dione
PubChem CID61386992
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-[2-(cyclopropylamino)ethyl]-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(CCNC2CC2)[nH]1
InChIInChI=1S/C9H13N3O2/c13-8-3-4-9(14)12(11-8)6-5-10-7-1-2-7/h3-4,7,10H,1-2,5-6H2,(H,11,13)
InChIKeyOOYNHQHMZLOCMI-UHFFFAOYSA-N
XLogP-0.71
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-pyridazine-3,6-dione
CID 43752784
1-(2-Aminoethyl)-1,2-dihydropyridazine-3,6-dione
CID 16782851
CID 58044780
CID 58044780
N-[2-[prop-2-enoyl-(prop-2-enoylamino)amino]ethyl]prop-2-enamide
CID 139442569
N-cyclopropyl-2-[2-[(2E,4E)-hexa-2,4-dienoyl]hydrazinyl]-2-oxoacetamide
CID 9505940
1-(2-Amino-1-methylbutyl)-1,2-dihydro-3,6-pyridazinedione
CID 16782849
2-(4-aminobutyl)-1H-pyridazine-3,6-dione
CID 20114400
N-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethylacetamide
CID 45807909
1-(2-Aminoethyl)-1,2-dihydro-3,6-pyridazinedione hydrochloride
CID 53398858
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propan-2-ylacetamide
CID 60634497
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethylacetamide
CID 60636501
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-prop-2-enylacetamide
CID 60636588

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylamino)ethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(cyclopropylamino)ethyl]-1H-pyridazine-3,6-dione (CID 61386992) is 2-[2-(cyclopropylamino)ethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(cyclopropylamino)ethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(cyclopropylamino)ethyl]-1H-pyridazine-3,6-dione is O=c1ccc(=O)n(CCNC2CC2)[nH]1.
What is the InChIKey of 2-[2-(cyclopropylamino)ethyl]-1H-pyridazine-3,6-dione?
The InChIKey is OOYNHQHMZLOCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-8-3-4-9(14)12(11-8)6-5-10-7-1-2-7/h3-4,7,10H,1-2,5-6H2,(H,11,13).
What are the key properties of 2-[2-(cyclopropylamino)ethyl]-1H-pyridazine-3,6-dione?
2-[2-(cyclopropylamino)ethyl]-1H-pyridazine-3,6-dione has a molecular weight of 195.22 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylamino)ethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 61386992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).