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

C10H17N3O2 — CID 61387004

IUPAC2-[2-(tert-butylamino)ethyl]-1H-pyridazine-3,6-dione
SMILESCC(C)(C)NCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H17N3O2/c1-10(2,3)11-6-7-13-9(15)5-4-8(14)12-13/h4-5,11H,6-7H2,1-3H3,(H,12,14)
InChIKeyHOUDVCLRLAUGJB-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.08
Rot. Bonds3

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

2-[2-(tert-butylamino)ethyl]-1H-pyridazine-3,6-dione (PubChem CID 61387004) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)ethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(tert-butylamino)ethyl]-1H-pyridazine-3,6-dione
PubChem CID61387004
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[2-(tert-butylamino)ethyl]-1H-pyridazine-3,6-dione
SMILESCC(C)(C)NCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H17N3O2/c1-10(2,3)11-6-7-13-9(15)5-4-8(14)12-13/h4-5,11H,6-7H2,1-3H3,(H,12,14)
InChIKeyHOUDVCLRLAUGJB-UHFFFAOYSA-N
XLogP-0.08
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Bis(aminoethylamino) ethyl maleamide
CID 129826976
1-{2-[(2-Methoxy-1-methylethyl)amino]ethyl}-1,2-dihydropyridazine-3,6-dione
CID 50961301
1-(2-Aminoethyl)-1,2-dihydropyridazine-3,6-dione
CID 16782851
2-Tert-butyl-1,6-dihydropyridazin-3-one
CID 57672233
CID 58044780
CID 58044780
(E)-4-(2-acetylhydrazinyl)-N-(2-aminoethyl)-3-methyl-4-oxobut-2-enamide
CID 88873759
[2-(2,5-Dioxopyrrol-1-yl)ethylamino]-trimethylazanium
CID 123700995
(Z)-N'-tert-butyl-N-[2-(dimethylamino)ethyl]but-2-enediamide
CID 132192058
N-(2,2-dimethylpropyl)-2-[(2,5-dioxopyrrol-1-yl)amino]propanamide
CID 132261819
2-[2-(dimethylamino)ethyl]-1H-pyridazine-3,6-dione
CID 138715539
N-[2-[prop-2-enoyl-(prop-2-enoylamino)amino]ethyl]prop-2-enamide
CID 139442569
(E)-N-(3,3,5,5-tetramethylpiperazin-1-yl)but-2-enamide
CID 139944539

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylamino)ethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(tert-butylamino)ethyl]-1H-pyridazine-3,6-dione (CID 61387004) is 2-[2-(tert-butylamino)ethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(tert-butylamino)ethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(tert-butylamino)ethyl]-1H-pyridazine-3,6-dione is CC(C)(C)NCCn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[2-(tert-butylamino)ethyl]-1H-pyridazine-3,6-dione?
The InChIKey is HOUDVCLRLAUGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,3)11-6-7-13-9(15)5-4-8(14)12-13/h4-5,11H,6-7H2,1-3H3,(H,12,14).
What are the key properties of 2-[2-(tert-butylamino)ethyl]-1H-pyridazine-3,6-dione?
2-[2-(tert-butylamino)ethyl]-1H-pyridazine-3,6-dione has a molecular weight of 211.26 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylamino)ethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 61387004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).