2-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C14H21N5 — CID 117136884

IUPAC2-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCCN1CCCCC1Cc1nc2c(N)cccn2n1
InChIInChI=1S/C14H21N5/c1-2-18-8-4-3-6-11(18)10-13-16-14-12(15)7-5-9-19(14)17-13/h5,7,9,11H,2-4,6,8,10,15H2,1H3
InChIKeyCRNMQELKPXEZHM-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.73
Rot. Bonds3

About 2-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine

2-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 117136884) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name2-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID117136884
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCCN1CCCCC1Cc1nc2c(N)cccn2n1
InChIInChI=1S/C14H21N5/c1-2-18-8-4-3-6-11(18)10-13-16-14-12(15)7-5-9-19(14)17-13/h5,7,9,11H,2-4,6,8,10,15H2,1H3
InChIKeyCRNMQELKPXEZHM-UHFFFAOYSA-N
XLogP1.73
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of 2-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 117136884) is 2-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for 2-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for 2-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine is CCN1CCCCC1Cc1nc2c(N)cccn2n1.
What is the InChIKey of 2-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is CRNMQELKPXEZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-2-18-8-4-3-6-11(18)10-13-16-14-12(15)7-5-9-19(14)17-13/h5,7,9,11H,2-4,6,8,10,15H2,1H3.
What are the key properties of 2-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
2-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 259.36 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 117136884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).