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

C10H17N3O3 — CID 50961301

IUPAC2-[2-(1-methoxypropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione
SMILESCOCC(C)NCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H17N3O3/c1-8(7-16-2)11-5-6-13-10(15)4-3-9(14)12-13/h3-4,8,11H,5-7H2,1-2H3,(H,12,14)
InChIKeyQDHOXSBVZIOZRC-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.84
Rot. Bonds6

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

2-[2-(1-methoxypropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione (PubChem CID 50961301) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[2-(1-methoxypropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(1-methoxypropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione
PubChem CID50961301
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-[2-(1-methoxypropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione
SMILESCOCC(C)NCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H17N3O3/c1-8(7-16-2)11-5-6-13-10(15)4-3-9(14)12-13/h3-4,8,11H,5-7H2,1-2H3,(H,12,14)
InChIKeyQDHOXSBVZIOZRC-UHFFFAOYSA-N
XLogP-0.84
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethyl)-1H-pyridazine-3,6-dione
CID 138715540
(E)-4-(2-oxo-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide
CID 153122907
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetate
CID 43404707
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43501076
2-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione
CID 56721913
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-propan-2-ylacetamide
CID 60634497
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate
CID 60637958
ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetate
CID 60811380
ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-propan-2-ylamino]acetate
CID 61022062
ethyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoate
CID 61344775
2-[2-(tert-butylamino)ethyl]-1H-pyridazine-3,6-dione
CID 61387004
2-[2-(ethylamino)ethyl]-1H-pyridazine-3,6-dione
CID 61387020

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methoxypropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(1-methoxypropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione (CID 50961301) is 2-[2-(1-methoxypropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(1-methoxypropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(1-methoxypropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione is COCC(C)NCCn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[2-(1-methoxypropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione?
The InChIKey is QDHOXSBVZIOZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-8(7-16-2)11-5-6-13-10(15)4-3-9(14)12-13/h3-4,8,11H,5-7H2,1-2H3,(H,12,14).
What are the key properties of 2-[2-(1-methoxypropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione?
2-[2-(1-methoxypropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione has a molecular weight of 227.26 g/mol, XLogP of -0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methoxypropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 50961301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).