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

C8H11N3O2 — CID 82567773

IUPAC2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCc1nc2n(n1)CCCC2C(=O)O
InChIInChI=1S/C8H11N3O2/c1-5-9-7-6(8(12)13)3-2-4-11(7)10-5/h6H,2-4H2,1H3,(H,12,13)
InChIKeyKHYKPKIHZMQLAY-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.55
Rot. Bonds1

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

2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 82567773) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID82567773
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCc1nc2n(n1)CCCC2C(=O)O
InChIInChI=1S/C8H11N3O2/c1-5-9-7-6(8(12)13)3-2-4-11(7)10-5/h6H,2-4H2,1H3,(H,12,13)
InChIKeyKHYKPKIHZMQLAY-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82567782
2-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157199
2-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157106
2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157161
2-(1-ethylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157202
2-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157212
2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157219
2-[(3-methoxyphenoxy)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 83965706
1,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 83830664
1-[(1S)-cyclohex-3-en-1-yl]-3-[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 96995511
1-[(1S)-cyclohex-3-en-1-yl]-3-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 96995510
methyl 2-(4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117128350

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 82567773) is 2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is Cc1nc2n(n1)CCCC2C(=O)O.
What is the InChIKey of 2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is KHYKPKIHZMQLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-9-7-6(8(12)13)3-2-4-11(7)10-5/h6H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 82567773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).