methyl 2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate

C12H14N4O2 — CID 117133580

IUPACmethyl 2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2nc(C3CCNC3)nc2c1
InChIInChI=1S/C12H14N4O2/c1-18-12(17)8-3-5-16-10(6-8)14-11(15-16)9-2-4-13-7-9/h3,5-6,9,13H,2,4,7H2,1H3
InChIKeyXWHSPWPPIBUSAC-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.59
Rot. Bonds2

About methyl 2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate

methyl 2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate (PubChem CID 117133580) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
PubChem CID117133580
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Namemethyl 2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2nc(C3CCNC3)nc2c1
InChIInChI=1S/C12H14N4O2/c1-18-12(17)8-3-5-16-10(6-8)14-11(15-16)9-2-4-13-7-9/h3,5-6,9,13H,2,4,7H2,1H3
InChIKeyXWHSPWPPIBUSAC-UHFFFAOYSA-N
XLogP0.59
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-bromo-2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83844620
methyl 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117133589
methyl 2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117134357
methyl 2-piperidin-3-ylimidazo[1,2-a]pyridine-7-carboxylate
CID 117134090
methyl 4-[[4,6-di(pyrrolidin-3-yl)-1,3,5-triazin-2-yl]amino]benzoate
CID 171851129
7-methyl-2-piperidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83964859
methyl 2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117135307
methyl 4-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]benzoate;hydrochloride
CID 120841376
methyl 2-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117257939
methyl 4-methoxy-3-piperidin-4-ylbenzoate
CID 139793069
methyl 2-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117135296
2-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 117133715

Frequently Asked Questions

What is the IUPAC name of methyl 2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of methyl 2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate (CID 117133580) is methyl 2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate is COC(=O)c1ccn2nc(C3CCNC3)nc2c1.
What is the InChIKey of methyl 2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The InChIKey is XWHSPWPPIBUSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-18-12(17)8-3-5-16-10(6-8)14-11(15-16)9-2-4-13-7-9/h3,5-6,9,13H,2,4,7H2,1H3.
What are the key properties of methyl 2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
methyl 2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 117133580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).