7-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

C12H16N4O — CID 117142983

IUPAC7-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccn2c(C3CCCN3C)nnc2c1
InChIInChI=1S/C12H16N4O/c1-15-6-3-4-10(15)12-14-13-11-8-9(17-2)5-7-16(11)12/h5,7-8,10H,3-4,6H2,1-2H3
InChIKeyPICARUJGIVDGPC-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.50
Rot. Bonds2

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

7-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117142983) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 7-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117142983
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name7-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccn2c(C3CCCN3C)nnc2c1
InChIInChI=1S/C12H16N4O/c1-15-6-3-4-10(15)12-14-13-11-8-9(17-2)5-7-16(11)12/h5,7-8,10H,3-4,6H2,1-2H3
InChIKeyPICARUJGIVDGPC-UHFFFAOYSA-N
XLogP1.50
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117142935
7-methoxy-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117142917
5-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117140470
7-methoxy-3-[(1-methylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117143037
8-methoxy-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117145448
7-methoxy-3-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117143174
(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
CID 92850085
3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 117139167
methyl 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117140201
(3-methoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]methanone
CID 92622317
(3-methoxyphenyl)-[3-[(2R)-1-methylpyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]methanone
CID 92622318
6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole
CID 170441623

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117142983) is 7-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is COc1ccn2c(C3CCCN3C)nnc2c1.
What is the InChIKey of 7-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is PICARUJGIVDGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-15-6-3-4-10(15)12-14-13-11-8-9(17-2)5-7-16(11)12/h5,7-8,10H,3-4,6H2,1-2H3.
What are the key properties of 7-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
7-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 232.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117142983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).