methyl 2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate

C15H20N4O2 — CID 117132113

IUPACmethyl 2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
SMILESCCN1CCCC1Cc1nc2cccc(C(=O)OC)n2n1
InChIInChI=1S/C15H20N4O2/c1-3-18-9-5-6-11(18)10-13-16-14-8-4-7-12(15(20)21-2)19(14)17-13/h4,7-8,11H,3,5-6,9-10H2,1-2H3
InChIKeyUXQXPLXCEMPLSZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.54
Rot. Bonds4

About methyl 2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate

methyl 2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (PubChem CID 117132113) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
PubChem CID117132113
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Namemethyl 2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
SMILESCCN1CCCC1Cc1nc2cccc(C(=O)OC)n2n1
InChIInChI=1S/C15H20N4O2/c1-3-18-9-5-6-11(18)10-13-16-14-8-4-7-12(15(20)21-2)19(14)17-13/h4,7-8,11H,3,5-6,9-10H2,1-2H3
InChIKeyUXQXPLXCEMPLSZ-UHFFFAOYSA-N
XLogP1.54
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate with MolForge

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Related Compounds

methyl 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117132114
5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117132084
methyl 2-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117132105
methyl 2-(azepan-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117257641
methyl 2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117257645
2-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxyimidazo[1,2-a]pyridine
CID 117131993
methyl 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129873
methyl 2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 66720768
methyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 68585795
methyl 2-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117257668
7-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117134466
methyl 2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117257664

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (CID 117132113) is methyl 2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is CCN1CCCC1Cc1nc2cccc(C(=O)OC)n2n1.
What is the InChIKey of methyl 2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The InChIKey is UXQXPLXCEMPLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-18-9-5-6-11(18)10-13-16-14-8-4-7-12(15(20)21-2)19(14)17-13/h4,7-8,11H,3,5-6,9-10H2,1-2H3.
What are the key properties of methyl 2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
methyl 2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 117132113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).