7-methoxy-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine

C13H18N4O — CID 117143174

IUPAC7-methoxy-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccn2c(CCN3CCCC3)nnc2c1
InChIInChI=1S/C13H18N4O/c1-18-11-4-9-17-12(14-15-13(17)10-11)5-8-16-6-2-3-7-16/h4,9-10H,2-3,5-8H2,1H3
InChIKeyPYVGVJCUMYTKCE-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.38
Rot. Bonds4

About 7-methoxy-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine

7-methoxy-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117143174) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 7-methoxy-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-methoxy-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117143174
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name7-methoxy-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccn2c(CCN3CCCC3)nnc2c1
InChIInChI=1S/C13H18N4O/c1-18-11-4-9-17-12(14-15-13(17)10-11)5-8-16-6-2-3-7-16/h4,9-10H,2-3,5-8H2,1H3
InChIKeyPYVGVJCUMYTKCE-UHFFFAOYSA-N
XLogP1.38
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-3-[(1-methylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117143037
7-methoxy-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117143112
2-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid
CID 105459905
7-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117143079
7-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117142983
1-[2-(5-methoxy-2-methylphenyl)ethyl]piperidine
CID 175842884
7-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117142935
3-(4-fluorophenyl)-7-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117143156
7-methoxy-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117143138
methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117145337
7-methoxy-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117142917
3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridin-7-amine
CID 117144835

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-methoxy-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117143174) is 7-methoxy-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-methoxy-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-methoxy-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1ccn2c(CCN3CCCC3)nnc2c1.
What is the InChIKey of 7-methoxy-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is PYVGVJCUMYTKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-18-11-4-9-17-12(14-15-13(17)10-11)5-8-16-6-2-3-7-16/h4,9-10H,2-3,5-8H2,1H3.
What are the key properties of 7-methoxy-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine?
7-methoxy-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 246.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117143174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).