3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine

C12H17N5 — CID 117141578

IUPAC3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCCN1CCCC1c1nnc2cccc(N)n12
InChIInChI=1S/C12H17N5/c1-2-16-8-4-5-9(16)12-15-14-11-7-3-6-10(13)17(11)12/h3,6-7,9H,2,4-5,8,13H2,1H3
InChIKeyRRNBWEWBTHFMOV-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.47
Rot. Bonds2

About 3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine

3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 117141578) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

Compound Name3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
PubChem CID117141578
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCCN1CCCC1c1nnc2cccc(N)n12
InChIInChI=1S/C12H17N5/c1-2-16-8-4-5-9(16)12-15-14-11-7-3-6-10(13)17(11)12/h3,6-7,9H,2,4-5,8,13H2,1H3
InChIKeyRRNBWEWBTHFMOV-UHFFFAOYSA-N
XLogP1.47
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethylpiperidin-2-yl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117141643
3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141546
3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139115
3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146542
3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139190
3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridin-7-amine
CID 117144080
2-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117134200
5-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117140470
3-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142605
3-(1-ethylpyrrolidin-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117148513
ethane;1-ethyl-2-phenylpyrrolidine
CID 177062481
3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147556

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The IUPAC name of 3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 117141578) is 3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine.
What is the SMILES notation for 3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The canonical SMILES for 3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine is CCN1CCCC1c1nnc2cccc(N)n12.
What is the InChIKey of 3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The InChIKey is RRNBWEWBTHFMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-2-16-8-4-5-9(16)12-15-14-11-7-3-6-10(13)17(11)12/h3,6-7,9H,2,4-5,8,13H2,1H3.
What are the key properties of 3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 231.30 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 117141578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).