(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl N-ethyl-N-methylcarbamate

C15H22N4O5 — CID 134314590

IUPAC(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl N-ethyl-N-methylcarbamate
SMILESCCCN1CCn2ncc(=O)c(OCOC(=O)N(C)CC)c2C1=O
InChIInChI=1S/C15H22N4O5/c1-4-6-18-7-8-19-12(14(18)21)13(11(20)9-16-19)23-10-24-15(22)17(3)5-2/h9H,4-8,10H2,1-3H3
InChIKeyQJFITHZKAGHOGD-UHFFFAOYSA-N
MW338.36 g/mol
LogP0.53
Rot. Bonds6

About (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl N-ethyl-N-methylcarbamate

(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl N-ethyl-N-methylcarbamate (PubChem CID 134314590) has the molecular formula C15H22N4O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl N-ethyl-N-methylcarbamate
PubChem CID134314590
Molecular FormulaC15H22N4O5
Molecular Weight338.36 g/mol
Exact Mass338.16
IUPAC Name(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl N-ethyl-N-methylcarbamate
SMILESCCCN1CCn2ncc(=O)c(OCOC(=O)N(C)CC)c2C1=O
InChIInChI=1S/C15H22N4O5/c1-4-6-18-7-8-19-12(14(18)21)13(11(20)9-16-19)23-10-24-15(22)17(3)5-2/h9H,4-8,10H2,1-3H3
InChIKeyQJFITHZKAGHOGD-UHFFFAOYSA-N
XLogP0.53
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3,5-Dioxo-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropyl carbonate
CID 123965305
(3,5-Dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 134314533
1-[(3,5-Dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxy]ethyl ethyl carbonate
CID 134314567
(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) N,N-dimethylcarbamate
CID 134314595
(3,5-Dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl methyl carbonate
CID 134314655
(3,5-Dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl ethyl carbonate
CID 142297141
(3,5-Dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) 2-methylpropanoate
CID 142297144
(3,5-Dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) acetate
CID 142297205
(6,9-Dioxo-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-dien-7-yl)oxymethyl ethyl carbonate
CID 142297252
4-Ethoxy-6-ethyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
CID 144807853
4-(Ethenoxymethoxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
CID 155364917
(3,5-Dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl propan-2-yl carbonate
CID 155364918

Frequently Asked Questions

What is the IUPAC name of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl N-ethyl-N-methylcarbamate?
The IUPAC name of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl N-ethyl-N-methylcarbamate (CID 134314590) is (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl N-ethyl-N-methylcarbamate.
What is the SMILES notation for (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl N-ethyl-N-methylcarbamate?
The canonical SMILES for (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl N-ethyl-N-methylcarbamate is CCCN1CCn2ncc(=O)c(OCOC(=O)N(C)CC)c2C1=O.
What is the InChIKey of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl N-ethyl-N-methylcarbamate?
The InChIKey is QJFITHZKAGHOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O5/c1-4-6-18-7-8-19-12(14(18)21)13(11(20)9-16-19)23-10-24-15(22)17(3)5-2/h9H,4-8,10H2,1-3H3.
What are the key properties of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl N-ethyl-N-methylcarbamate?
(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl N-ethyl-N-methylcarbamate has a molecular weight of 338.36 g/mol, XLogP of 0.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl N-ethyl-N-methylcarbamate is sourced from PubChem (CID 134314590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).