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

C15H21N3O6 — CID 155364918

IUPAC(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl propan-2-yl carbonate
SMILESCCCN1CCn2ncc(=O)c(OCOC(=O)OC(C)C)c2C1=O
InChIInChI=1S/C15H21N3O6/c1-4-5-17-6-7-18-12(14(17)20)13(11(19)8-16-18)22-9-23-15(21)24-10(2)3/h8,10H,4-7,9H2,1-3H3
InChIKeyVTONGUPFCDCMOM-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.01
Rot. Bonds6

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

(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl propan-2-yl carbonate (PubChem CID 155364918) has the molecular formula C15H21N3O6 and a molecular weight of 339.35 g/mol. Its IUPAC name is (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl propan-2-yl carbonate.

Molecular Properties

Compound Name(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl propan-2-yl carbonate
PubChem CID155364918
Molecular FormulaC15H21N3O6
Molecular Weight339.35 g/mol
Exact Mass339.14
IUPAC Name(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl propan-2-yl carbonate
SMILESCCCN1CCn2ncc(=O)c(OCOC(=O)OC(C)C)c2C1=O
InChIInChI=1S/C15H21N3O6/c1-4-5-17-6-7-18-12(14(17)20)13(11(19)8-16-18)22-9-23-15(21)24-10(2)3/h8,10H,4-7,9H2,1-3H3
InChIKeyVTONGUPFCDCMOM-UHFFFAOYSA-N
XLogP1.01
TPSA99.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl propan-2-yl carbonate?
The IUPAC name of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl propan-2-yl carbonate (CID 155364918) is (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl propan-2-yl carbonate.
What is the SMILES notation for (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl propan-2-yl carbonate?
The canonical SMILES for (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl propan-2-yl carbonate is CCCN1CCn2ncc(=O)c(OCOC(=O)OC(C)C)c2C1=O.
What is the InChIKey of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl propan-2-yl carbonate?
The InChIKey is VTONGUPFCDCMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O6/c1-4-5-17-6-7-18-12(14(17)20)13(11(19)8-16-18)22-9-23-15(21)24-10(2)3/h8,10H,4-7,9H2,1-3H3.
What are the key properties of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl propan-2-yl carbonate?
(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl)oxymethyl propan-2-yl carbonate has a molecular weight of 339.35 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 8 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 propan-2-yl carbonate is sourced from PubChem (CID 155364918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).