3-[(2-ethylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C14H21N5 — CID 82065251

IUPAC3-[(2-ethylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCCC1CCCCN1Cc1nnc2ccc(N)cn12
InChIInChI=1S/C14H21N5/c1-2-12-5-3-4-8-18(12)10-14-17-16-13-7-6-11(15)9-19(13)14/h6-7,9,12H,2-5,8,10,15H2,1H3
InChIKeyGRPGLUWFTFVNME-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.08
Rot. Bonds3

About 3-[(2-ethylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine

3-[(2-ethylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 82065251) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 3-[(2-ethylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-[(2-ethylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID82065251
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name3-[(2-ethylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCCC1CCCCN1Cc1nnc2ccc(N)cn12
InChIInChI=1S/C14H21N5/c1-2-12-5-3-4-8-18(12)10-14-17-16-13-7-6-11(15)9-19(13)14/h6-7,9,12H,2-5,8,10,15H2,1H3
InChIKeyGRPGLUWFTFVNME-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-ethylpiperidin-1-yl)methyl]-3-fluoroaniline
CID 64767866
4-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 59299936
6-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139331
3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 117139167
4-[2-(2-ethylazepan-1-yl)ethyl]aniline
CID 104688951
5-[(2-ethylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 79021704
3-amino-4-[(2-ethylazepan-1-yl)methyl]benzamide
CID 104689056
2-[(2-ethylpiperidin-1-yl)methyl]-5-fluorobenzenecarbothioamide
CID 63292628
4-chloro-3-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 60973735
1-ethyl-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-fluorobenzimidazole
CID 52879080
(2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine
CID 95356235
[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methanol
CID 83794056

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-[(2-ethylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 82065251) is 3-[(2-ethylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-[(2-ethylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-[(2-ethylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine is CCC1CCCCN1Cc1nnc2ccc(N)cn12.
What is the InChIKey of 3-[(2-ethylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is GRPGLUWFTFVNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-2-12-5-3-4-8-18(12)10-14-17-16-13-7-6-11(15)9-19(13)14/h6-7,9,12H,2-5,8,10,15H2,1H3.
What are the key properties of 3-[(2-ethylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-[(2-ethylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 259.36 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylpiperidin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 82065251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).