9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-6-carbonitrile;propane

C14H20N4O3 — CID 145301935

IUPAC9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-6-carbonitrile;propane
SMILESCC(C)N1CCn2c(C#N)nc(=O)c(O)c2C1=O.CCC
InChIInChI=1S/C11H12N4O3.C3H8/c1-6(2)14-3-4-15-7(5-12)13-10(17)9(16)8(15)11(14)18;1-3-2/h6,16H,3-4H2,1-2H3;3H2,1-2H3
InChIKeyGESYPMRCKUQNPR-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.10
Rot. Bonds1

About 9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-6-carbonitrile;propane

9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-6-carbonitrile;propane (PubChem CID 145301935) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-6-carbonitrile;propane.

Molecular Properties

Compound Name9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-6-carbonitrile;propane
PubChem CID145301935
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-6-carbonitrile;propane
SMILESCC(C)N1CCn2c(C#N)nc(=O)c(O)c2C1=O.CCC
InChIInChI=1S/C11H12N4O3.C3H8/c1-6(2)14-3-4-15-7(5-12)13-10(17)9(16)8(15)11(14)18;1-3-2/h6,16H,3-4H2,1-2H3;3H2,1-2H3
InChIKeyGESYPMRCKUQNPR-UHFFFAOYSA-N
XLogP1.10
TPSA99.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-6-carbonitrile;propane?
The IUPAC name of 9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-6-carbonitrile;propane (CID 145301935) is 9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-6-carbonitrile;propane.
What is the SMILES notation for 9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-6-carbonitrile;propane?
The canonical SMILES for 9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-6-carbonitrile;propane is CC(C)N1CCn2c(C#N)nc(=O)c(O)c2C1=O.CCC.
What is the InChIKey of 9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-6-carbonitrile;propane?
The InChIKey is GESYPMRCKUQNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3.C3H8/c1-6(2)14-3-4-15-7(5-12)13-10(17)9(16)8(15)11(14)18;1-3-2/h6,16H,3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of 9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-6-carbonitrile;propane?
9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-6-carbonitrile;propane has a molecular weight of 292.34 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-6-carbonitrile;propane is sourced from PubChem (CID 145301935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).