2-[(1-ethylpyrrolidin-3-yl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine

C14H20N4 — CID 117136107

IUPAC2-[(1-ethylpyrrolidin-3-yl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCN1CCC(Cc2nc3c(C)cccn3n2)C1
InChIInChI=1S/C14H20N4/c1-3-17-8-6-12(10-17)9-13-15-14-11(2)5-4-7-18(14)16-13/h4-5,7,12H,3,6,8-10H2,1-2H3
InChIKeyKSHYSHNPBRCIQB-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.92
Rot. Bonds3

About 2-[(1-ethylpyrrolidin-3-yl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine

2-[(1-ethylpyrrolidin-3-yl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117136107) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-3-yl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-3-yl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117136107
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-[(1-ethylpyrrolidin-3-yl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCN1CCC(Cc2nc3c(C)cccn3n2)C1
InChIInChI=1S/C14H20N4/c1-3-17-8-6-12(10-17)9-13-15-14-11(2)5-4-7-18(14)16-13/h4-5,7,12H,3,6,8-10H2,1-2H3
InChIKeyKSHYSHNPBRCIQB-UHFFFAOYSA-N
XLogP1.92
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136108
2-[(1-ethylpiperidin-3-yl)methyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117136928
2-[(1-ethylpiperidin-4-yl)methyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117136154
8-methyl-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136735
8-bromo-2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117136097
8-methyl-2-(thian-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136981
2-[(1-ethylpyrrolidin-3-yl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117133730
2-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117131432
8-methyl-2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136836
8-methyl-2-[(1-methylpiperazin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 116989841
8-methyl-2-(thian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136854
2-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117135856

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 117136107) is 2-[(1-ethylpyrrolidin-3-yl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-3-yl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[(1-ethylpyrrolidin-3-yl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine is CCN1CCC(Cc2nc3c(C)cccn3n2)C1.
What is the InChIKey of 2-[(1-ethylpyrrolidin-3-yl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is KSHYSHNPBRCIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-17-8-6-12(10-17)9-13-15-14-11(2)5-4-7-18(14)16-13/h4-5,7,12H,3,6,8-10H2,1-2H3.
What are the key properties of 2-[(1-ethylpyrrolidin-3-yl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
2-[(1-ethylpyrrolidin-3-yl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 244.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-3-yl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117136107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).