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

C9H15N3O2 — CID 61387032

IUPAC2-[2-(propan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione
SMILESCC(C)NCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H15N3O2/c1-7(2)10-5-6-12-9(14)4-3-8(13)11-12/h3-4,7,10H,5-6H2,1-2H3,(H,11,13)
InChIKeyPBXIZOUSNUIZOW-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.47
Rot. Bonds4

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

2-[2-(propan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione (PubChem CID 61387032) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[2-(propan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(propan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione
PubChem CID61387032
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-[2-(propan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione
SMILESCC(C)NCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H15N3O2/c1-7(2)10-5-6-12-9(14)4-3-8(13)11-12/h3-4,7,10H,5-6H2,1-2H3,(H,11,13)
InChIKeyPBXIZOUSNUIZOW-UHFFFAOYSA-N
XLogP-0.47
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Butyl-1,2-dihydro-3,6-pyridazinedione
CID 246498
Bis(aminoethylamino) ethyl maleamide
CID 129826976
Einecs 253-082-7
CID 21278031
2-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-pyridazine-3,6-dione
CID 43752784
1-{2-[(2-Methoxy-1-methylethyl)amino]ethyl}-1,2-dihydropyridazine-3,6-dione
CID 50961301
6-hydroxy-2-isopropyl-3(2H)-pyridazinone
CID 11378616
2-ethyl-1H-pyridazine-3,6-dione
CID 12289925
1-(2-Aminoethyl)-1,2-dihydropyridazine-3,6-dione
CID 16782851
CID 58044780
CID 58044780
1-[2-(2,2-Dimethylhydrazinyl)ethyl]pyrrole-2,5-dione
CID 123161946
6-Methyl-2-propan-2-yl-1,6-dihydropyridazin-3-one
CID 130257086
N-(2,2-dimethylpropyl)-2-[(2,5-dioxopyrrol-1-yl)amino]propanamide
CID 132261819

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(propan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione (CID 61387032) is 2-[2-(propan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(propan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(propan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione is CC(C)NCCn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[2-(propan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione?
The InChIKey is PBXIZOUSNUIZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7(2)10-5-6-12-9(14)4-3-8(13)11-12/h3-4,7,10H,5-6H2,1-2H3,(H,11,13).
What are the key properties of 2-[2-(propan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione?
2-[2-(propan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione has a molecular weight of 197.24 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 61387032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).