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

C8H11N3O2 — CID 83866335

IUPAC7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
SMILESCC1CCn2c(nnc2C(=O)O)C1
InChIInChI=1S/C8H11N3O2/c1-5-2-3-11-6(4-5)9-10-7(11)8(12)13/h5H,2-4H2,1H3,(H,12,13)
InChIKeyVWCASRVAMYOPNJ-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.56
Rot. Bonds1

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

7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid (PubChem CID 83866335) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
PubChem CID83866335
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
SMILESCC1CCn2c(nnc2C(=O)O)C1
InChIInChI=1S/C8H11N3O2/c1-5-2-3-11-6(4-5)9-10-7(11)8(12)13/h5H,2-4H2,1H3,(H,12,13)
InChIKeyVWCASRVAMYOPNJ-UHFFFAOYSA-N
XLogP0.56
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid?
The IUPAC name of 7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid (CID 83866335) is 7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid?
The canonical SMILES for 7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid is CC1CCn2c(nnc2C(=O)O)C1.
What is the InChIKey of 7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid?
The InChIKey is VWCASRVAMYOPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-2-3-11-6(4-5)9-10-7(11)8(12)13/h5H,2-4H2,1H3,(H,12,13).
What are the key properties of 7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid?
7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 83866335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).