5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-5-oxopentanoic acid

C11H16N4O3 — CID 64576359

IUPAC5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1CCn2cnnc2C1
InChIInChI=1S/C11H16N4O3/c1-8(5-11(17)18)4-10(16)14-2-3-15-7-12-13-9(15)6-14/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyKNYCTSYWMAQEIF-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.12
Rot. Bonds4

About 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-5-oxopentanoic acid

5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-5-oxopentanoic acid (PubChem CID 64576359) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-5-oxopentanoic acid
PubChem CID64576359
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1CCn2cnnc2C1
InChIInChI=1S/C11H16N4O3/c1-8(5-11(17)18)4-10(16)14-2-3-15-7-12-13-9(15)6-14/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyKNYCTSYWMAQEIF-UHFFFAOYSA-N
XLogP0.12
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-5-oxopentanoic acid with MolForge

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Related Compounds

5-oxo-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanoic acid
CID 64574818
2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]cyclopropane-1-carboxylic acid
CID 64575011
cis-(1S,2R)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]cyclopropane-1-carboxylic acid
CID 105638911
3,3-dimethyl-5-oxo-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanoic acid
CID 120515775
3-Methyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 55201525
(3R)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxy-3-methylpentan-1-one
CID 146245113
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-6-oxopiperidine-3-carboxylic acid
CID 55057555
3-Methyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 55156178
2-[3-(4-Methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60948968
5-[3-(4-Methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 60949630
5-[(4-Methyl-1,2,4-triazol-3-yl)methylamino]-5-oxopentanoic acid
CID 61004543
1-[(4-Methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 62118710

Frequently Asked Questions

What is the IUPAC name of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-5-oxopentanoic acid (CID 64576359) is 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)N1CCn2cnnc2C1.
What is the InChIKey of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-5-oxopentanoic acid?
The InChIKey is KNYCTSYWMAQEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-8(5-11(17)18)4-10(16)14-2-3-15-7-12-13-9(15)6-14/h7-8H,2-6H2,1H3,(H,17,18).
What are the key properties of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-5-oxopentanoic acid?
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-5-oxopentanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 64576359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).