2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propylacetamide

C12H19N5O3 — CID 75528608

IUPAC2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1nc2n(c1=O)CCN(CC)C2=O
InChIInChI=1S/C12H19N5O3/c1-3-5-13-9(18)8-17-12(20)16-7-6-15(4-2)11(19)10(16)14-17/h3-8H2,1-2H3,(H,13,18)
InChIKeyHPRNDWFTRPCPRW-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.95
Rot. Bonds5

About 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propylacetamide

2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propylacetamide (PubChem CID 75528608) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propylacetamide
PubChem CID75528608
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1nc2n(c1=O)CCN(CC)C2=O
InChIInChI=1S/C12H19N5O3/c1-3-5-13-9(18)8-17-12(20)16-7-6-15(4-2)11(19)10(16)14-17/h3-8H2,1-2H3,(H,13,18)
InChIKeyHPRNDWFTRPCPRW-UHFFFAOYSA-N
XLogP-0.95
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propylacetamide?
The IUPAC name of 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propylacetamide (CID 75528608) is 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propylacetamide.
What is the SMILES notation for 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propylacetamide?
The canonical SMILES for 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propylacetamide is CCCNC(=O)Cn1nc2n(c1=O)CCN(CC)C2=O.
What is the InChIKey of 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propylacetamide?
The InChIKey is HPRNDWFTRPCPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-3-5-13-9(18)8-17-12(20)16-7-6-15(4-2)11(19)10(16)14-17/h3-8H2,1-2H3,(H,13,18).
What are the key properties of 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propylacetamide?
2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propylacetamide has a molecular weight of 281.32 g/mol, XLogP of -0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propylacetamide is sourced from PubChem (CID 75528608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).