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

C13H23N5 — CID 117150125

IUPAC3-[(1-methylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCN1CCCCC1Cc1nnc2n1C(N)CCC2
InChIInChI=1S/C13H23N5/c1-17-8-3-2-5-10(17)9-13-16-15-12-7-4-6-11(14)18(12)13/h10-11H,2-9,14H2,1H3
InChIKeyKDJXYMJAYGYQQF-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.10
Rot. Bonds2

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

3-[(1-methylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 117150125) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

Compound Name3-[(1-methylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine
PubChem CID117150125
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name3-[(1-methylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCN1CCCCC1Cc1nnc2n1C(N)CCC2
InChIInChI=1S/C13H23N5/c1-17-8-3-2-5-10(17)9-13-16-15-12-7-4-6-11(14)18(12)13/h10-11H,2-9,14H2,1H3
InChIKeyKDJXYMJAYGYQQF-UHFFFAOYSA-N
XLogP1.10
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117150387
7-methyl-3-[(1-methylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151442
[3-[(1-methylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
CID 117150932
3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117150341
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-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117150571
3-[(1-methylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine
CID 117151438
6-methyl-3-[(1-methylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117148656
8-methyl-3-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117146706
3-(1-ethylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117150012
6-[(1-methylpiperidin-2-yl)methyl]pyridazine-3,4-diamine
CID 117106143
(2R)-2-ethyl-1-methylpiperidine
CID 67552955

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The IUPAC name of 3-[(1-methylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 117150125) is 3-[(1-methylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine.
What is the SMILES notation for 3-[(1-methylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The canonical SMILES for 3-[(1-methylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine is CN1CCCCC1Cc1nnc2n1C(N)CCC2.
What is the InChIKey of 3-[(1-methylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The InChIKey is KDJXYMJAYGYQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-17-8-3-2-5-10(17)9-13-16-15-12-7-4-6-11(14)18(12)13/h10-11H,2-9,14H2,1H3.
What are the key properties of 3-[(1-methylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
3-[(1-methylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 249.36 g/mol, XLogP of 1.10, 2 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)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 117150125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).