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

C13H18N4O4 — CID 134314595

IUPAC(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) N,N-dimethylcarbamate
SMILESCCCN1CCn2ncc(=O)c(OC(=O)N(C)C)c2C1=O
InChIInChI=1S/C13H18N4O4/c1-4-5-16-6-7-17-10(12(16)19)11(9(18)8-14-17)21-13(20)15(2)3/h8H,4-7H2,1-3H3
InChIKeyYVOBQLXIUXNNCX-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.17
Rot. Bonds3

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

(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) N,N-dimethylcarbamate (PubChem CID 134314595) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) N,N-dimethylcarbamate
PubChem CID134314595
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) N,N-dimethylcarbamate
SMILESCCCN1CCn2ncc(=O)c(OC(=O)N(C)C)c2C1=O
InChIInChI=1S/C13H18N4O4/c1-4-5-16-6-7-17-10(12(16)19)11(9(18)8-14-17)21-13(20)15(2)3/h8H,4-7H2,1-3H3
InChIKeyYVOBQLXIUXNNCX-UHFFFAOYSA-N
XLogP0.17
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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) N,N-dimethylcarbamate?
The IUPAC name of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) N,N-dimethylcarbamate (CID 134314595) is (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) N,N-dimethylcarbamate?
The canonical SMILES for (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) N,N-dimethylcarbamate is CCCN1CCn2ncc(=O)c(OC(=O)N(C)C)c2C1=O.
What is the InChIKey of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) N,N-dimethylcarbamate?
The InChIKey is YVOBQLXIUXNNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-4-5-16-6-7-17-10(12(16)19)11(9(18)8-14-17)21-13(20)15(2)3/h8H,4-7H2,1-3H3.
What are the key properties of (3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) N,N-dimethylcarbamate?
(3,5-dioxo-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl) N,N-dimethylcarbamate has a molecular weight of 294.31 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 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) N,N-dimethylcarbamate is sourced from PubChem (CID 134314595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).