7-methoxy-2-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine

C12H16N4O — CID 117134373

IUPAC7-methoxy-2-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccn2nc(CC3CCCN3)nc2c1
InChIInChI=1S/C12H16N4O/c1-17-10-4-6-16-12(8-10)14-11(15-16)7-9-3-2-5-13-9/h4,6,8-9,13H,2-3,5,7H2,1H3
InChIKeyHZVNMCBUQBUNKL-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.03
Rot. Bonds3

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

7-methoxy-2-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117134373) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 7-methoxy-2-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-methoxy-2-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117134373
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name7-methoxy-2-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccn2nc(CC3CCCN3)nc2c1
InChIInChI=1S/C12H16N4O/c1-17-10-4-6-16-12(8-10)14-11(15-16)7-9-3-2-5-13-9/h4,6,8-9,13H,2-3,5,7H2,1H3
InChIKeyHZVNMCBUQBUNKL-UHFFFAOYSA-N
XLogP1.03
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-(piperidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117132123
methyl 2-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117132105
2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 82612103
7-methoxy-1-(pyrrolidin-2-ylmethyl)isoquinoline
CID 116995296
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654
5-methoxy-2-(piperidin-2-ylmethyl)pyrimidine
CID 117231656
1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine
CID 117405725
6-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 79511727
7-methoxy-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117134900
2-[(2-fluorophenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117135034
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
6-methoxy-1-(piperidin-2-ylmethyl)isoquinoline
CID 116995390

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-methoxy-2-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117134373) is 7-methoxy-2-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-methoxy-2-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-methoxy-2-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is COc1ccn2nc(CC3CCCN3)nc2c1.
What is the InChIKey of 7-methoxy-2-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is HZVNMCBUQBUNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-17-10-4-6-16-12(8-10)14-11(15-16)7-9-3-2-5-13-9/h4,6,8-9,13H,2-3,5,7H2,1H3.
What are the key properties of 7-methoxy-2-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
7-methoxy-2-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 232.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117134373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).