methyl 3-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate

C15H20N4O2 — CID 117147420

IUPACmethyl 3-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
SMILESCCN1CCC(c2nnc3c(C(=O)OC)cccn23)CC1
InChIInChI=1S/C15H20N4O2/c1-3-18-9-6-11(7-10-18)13-16-17-14-12(15(20)21-2)5-4-8-19(13)14/h4-5,8,11H,3,6-7,9-10H2,1-2H3
InChIKeyWEMKSIIBUPGZRN-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.72
Rot. Bonds3

About methyl 3-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate

methyl 3-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate (PubChem CID 117147420) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 3-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
PubChem CID117147420
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Namemethyl 3-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
SMILESCCN1CCC(c2nnc3c(C(=O)OC)cccn23)CC1
InChIInChI=1S/C15H20N4O2/c1-3-18-9-6-11(7-10-18)13-16-17-14-12(15(20)21-2)5-4-8-19(13)14/h4-5,8,11H,3,6-7,9-10H2,1-2H3
InChIKeyWEMKSIIBUPGZRN-UHFFFAOYSA-N
XLogP1.72
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate with MolForge

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Related Compounds

methyl 3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147397
methyl 3-(1,1-dioxothian-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147483
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 58074688
3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146249
methyl 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147559
8-bromo-3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146253
methyl 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117257442
3-cyclobutyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 86764840
methyl 2-[(1-ethylpiperidin-4-yl)carbamoylamino]benzoate
CID 6465197
3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147556
N-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-methoxybenzamide
CID 86763634
methyl 2-[[2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]benzoate
CID 119039032

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
The IUPAC name of methyl 3-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate (CID 117147420) is methyl 3-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 3-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 3-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate is CCN1CCC(c2nnc3c(C(=O)OC)cccn23)CC1.
What is the InChIKey of methyl 3-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
The InChIKey is WEMKSIIBUPGZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-18-9-6-11(7-10-18)13-16-17-14-12(15(20)21-2)5-4-8-19(13)14/h4-5,8,11H,3,6-7,9-10H2,1-2H3.
What are the key properties of methyl 3-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
methyl 3-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate is sourced from PubChem (CID 117147420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).