3-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine

C12H21N5 — CID 117151363

IUPAC3-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine
SMILESCN1CCCCC1c1nnc2n1CCC(N)C2
InChIInChI=1S/C12H21N5/c1-16-6-3-2-4-10(16)12-15-14-11-8-9(13)5-7-17(11)12/h9-10H,2-8,13H2,1H3
InChIKeySPUQYWOHCSJOGK-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.71
Rot. Bonds1

About 3-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine

3-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine (PubChem CID 117151363) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine.

Molecular Properties

Compound Name3-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine
PubChem CID117151363
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name3-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine
SMILESCN1CCCCC1c1nnc2n1CCC(N)C2
InChIInChI=1S/C12H21N5/c1-16-6-3-2-4-10(16)12-15-14-11-8-9(13)5-7-17(11)12/h9-10H,2-8,13H2,1H3
InChIKeySPUQYWOHCSJOGK-UHFFFAOYSA-N
XLogP0.71
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine with MolForge

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Related Compounds

N,N-dimethyl-3-[(2S)-1-methylpiperidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-sulfonamide
CID 92622083
cyclopentyl-[3-[(2R)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 95833920
cyclopentyl-[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 92622280
N,N-dimethyl-3-(1-methylpiperidin-2-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-sulfonamide
CID 110263118
1-(1-methylpiperidin-2-yl)-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine
CID 162636407
3-[(1-propan-2-ylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117151456
5-methyl-3-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117149999
[3-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
CID 117150908
3-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol
CID 117150003
3-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
CID 117148554
1-[2-[3-(1-methylpiperidin-2-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-2-oxoethyl]azepan-2-one
CID 110263091
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[(2S)-1-methylpiperidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]methanone
CID 92622310

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
The IUPAC name of 3-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine (CID 117151363) is 3-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine.
What is the SMILES notation for 3-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
The canonical SMILES for 3-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine is CN1CCCCC1c1nnc2n1CCC(N)C2.
What is the InChIKey of 3-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
The InChIKey is SPUQYWOHCSJOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-16-6-3-2-4-10(16)12-15-14-11-8-9(13)5-7-17(11)12/h9-10H,2-8,13H2,1H3.
What are the key properties of 3-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
3-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine has a molecular weight of 235.33 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine is sourced from PubChem (CID 117151363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).