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

C13H19N5 — CID 117131432

IUPAC2-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCCN1CCC(Cc2nc3cccc(N)n3n2)C1
InChIInChI=1S/C13H19N5/c1-2-17-7-6-10(9-17)8-12-15-13-5-3-4-11(14)18(13)16-12/h3-5,10H,2,6-9,14H2,1H3
InChIKeyKYBOKKXHHMFAKI-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.20
Rot. Bonds3

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

2-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 117131432) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID117131432
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCCN1CCC(Cc2nc3cccc(N)n3n2)C1
InChIInChI=1S/C13H19N5/c1-2-17-7-6-10(9-17)8-12-15-13-5-3-4-11(14)18(13)16-12/h3-5,10H,2,6-9,14H2,1H3
InChIKeyKYBOKKXHHMFAKI-UHFFFAOYSA-N
XLogP1.20
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 117131432) is 2-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 2-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine is CCN1CCC(Cc2nc3cccc(N)n3n2)C1.
What is the InChIKey of 2-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is KYBOKKXHHMFAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-2-17-7-6-10(9-17)8-12-15-13-5-3-4-11(14)18(13)16-12/h3-5,10H,2,6-9,14H2,1H3.
What are the key properties of 2-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
2-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 245.33 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 117131432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).