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

C8H11N3O2 — CID 82568020

IUPACmethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)C1CCc2ncnn2C1
InChIInChI=1S/C8H11N3O2/c1-13-8(12)6-2-3-7-9-5-10-11(7)4-6/h5-6H,2-4H2,1H3
InChIKeyLJNJCCQXACUGIM-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.01
Rot. Bonds1

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

methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 82568020) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
PubChem CID82568020
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Namemethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)C1CCc2ncnn2C1
InChIInChI=1S/C8H11N3O2/c1-13-8(12)6-2-3-7-9-5-10-11(7)4-6/h5-6H,2-4H2,1H3
InChIKeyLJNJCCQXACUGIM-UHFFFAOYSA-N
XLogP0.01
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate with MolForge

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Related Compounds

5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridine-6-carboxylic acid
CID 25219067
3-methyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridine-6-carboxylic acid
CID 47002137
3-tert-butyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridine-6-carboxylic acid
CID 81495376
5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid hydrochloride
CID 132372886
lithium(1+) 3-ethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 177800152
2-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 83865959
2-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 83866045
ethyl (8S)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 125041941
ethyl (8R)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 125041942
methyl (6S)-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 125449861
methyl (6R)-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 125449866
Ethyl 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 127263510

Frequently Asked Questions

What is the IUPAC name of methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate (CID 82568020) is methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate is COC(=O)C1CCc2ncnn2C1.
What is the InChIKey of methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The InChIKey is LJNJCCQXACUGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-13-8(12)6-2-3-7-9-5-10-11(7)4-6/h5-6H,2-4H2,1H3.
What are the key properties of methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 82568020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).