7-methyl-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine

C13H18N4 — CID 117135577

IUPAC7-methyl-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccn2nc(CCN3CCCC3)nc2c1
InChIInChI=1S/C13H18N4/c1-11-4-9-17-13(10-11)14-12(15-17)5-8-16-6-2-3-7-16/h4,9-10H,2-3,5-8H2,1H3
InChIKeyNPTMMZSZWSENRO-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.68
Rot. Bonds3

About 7-methyl-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine

7-methyl-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117135577) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 7-methyl-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-methyl-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117135577
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name7-methyl-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccn2nc(CCN3CCCC3)nc2c1
InChIInChI=1S/C13H18N4/c1-11-4-9-17-13(10-11)14-12(15-17)5-8-16-6-2-3-7-16/h4,9-10H,2-3,5-8H2,1H3
InChIKeyNPTMMZSZWSENRO-UHFFFAOYSA-N
XLogP1.68
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117135581
7-chloro-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117135580
2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 117135584
7-methyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116989716
2-(methoxymethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 171439840
2-(3-methoxypropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117133412
7-bromo-2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116990026
N-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]ethanamine
CID 116989689
2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117135596
7-methyl-N-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 83026136
2-[(4-methoxyphenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566338
2-[(2-bromophenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117135097

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-methyl-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117135577) is 7-methyl-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-methyl-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-methyl-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccn2nc(CCN3CCCC3)nc2c1.
What is the InChIKey of 7-methyl-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NPTMMZSZWSENRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-11-4-9-17-13(10-11)14-12(15-17)5-8-16-6-2-3-7-16/h4,9-10H,2-3,5-8H2,1H3.
What are the key properties of 7-methyl-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine?
7-methyl-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 230.31 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117135577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).