8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid

C7H10N4O2 — CID 68799549

IUPAC8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid
SMILESCC1NCCn2c(C(=O)O)nnc21
InChIInChI=1S/C7H10N4O2/c1-4-5-9-10-6(7(12)13)11(5)3-2-8-4/h4,8H,2-3H2,1H3,(H,12,13)
InChIKeyZAUGEIKXMLYTCA-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.36
Rot. Bonds1

About 8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid

8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid (PubChem CID 68799549) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid.

Molecular Properties

Compound Name8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid
PubChem CID68799549
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid
SMILESCC1NCCn2c(C(=O)O)nnc21
InChIInChI=1S/C7H10N4O2/c1-4-5-9-10-6(7(12)13)11(5)3-2-8-4/h4,8H,2-3H2,1H3,(H,12,13)
InChIKeyZAUGEIKXMLYTCA-UHFFFAOYSA-N
XLogP-0.36
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid?
The IUPAC name of 8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid (CID 68799549) is 8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid.
What is the SMILES notation for 8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid?
The canonical SMILES for 8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid is CC1NCCn2c(C(=O)O)nnc21.
What is the InChIKey of 8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid?
The InChIKey is ZAUGEIKXMLYTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-4-5-9-10-6(7(12)13)11(5)3-2-8-4/h4,8H,2-3H2,1H3,(H,12,13).
What are the key properties of 8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid?
8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid is sourced from PubChem (CID 68799549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).