3-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

C12H15N5O2 — CID 81497114

IUPAC3-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESCc1cc(-c2nnc3n2CC(C(=O)O)CC3)n(C)n1
InChIInChI=1S/C12H15N5O2/c1-7-5-9(16(2)15-7)11-14-13-10-4-3-8(12(18)19)6-17(10)11/h5,8H,3-4,6H2,1-2H3,(H,18,19)
InChIKeyRTQNKYZGUKQXLB-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.63
Rot. Bonds2

About 3-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

3-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 81497114) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
PubChem CID81497114
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name3-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESCc1cc(-c2nnc3n2CC(C(=O)O)CC3)n(C)n1
InChIInChI=1S/C12H15N5O2/c1-7-5-9(16(2)15-7)11-14-13-10-4-3-8(12(18)19)6-17(10)11/h5,8H,3-4,6H2,1-2H3,(H,18,19)
InChIKeyRTQNKYZGUKQXLB-UHFFFAOYSA-N
XLogP0.63
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 81497114) is 3-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is Cc1cc(-c2nnc3n2CC(C(=O)O)CC3)n(C)n1.
What is the InChIKey of 3-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The InChIKey is RTQNKYZGUKQXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7-5-9(16(2)15-7)11-14-13-10-4-3-8(12(18)19)6-17(10)11/h5,8H,3-4,6H2,1-2H3,(H,18,19).
What are the key properties of 3-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
3-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 81497114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).