3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine

C12H17N5 — CID 117143951

IUPAC3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
SMILESNc1ccn2c(CC3CCNCC3)nnc2c1
InChIInChI=1S/C12H17N5/c13-10-3-6-17-11(15-16-12(17)8-10)7-9-1-4-14-5-2-9/h3,6,8-9,14H,1-2,4-5,7,13H2
InChIKeyJNATVLDGUNRVDG-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.85
Rot. Bonds2

About 3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine

3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine (PubChem CID 117143951) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine.

Molecular Properties

Compound Name3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
PubChem CID117143951
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
SMILESNc1ccn2c(CC3CCNCC3)nnc2c1
InChIInChI=1S/C12H17N5/c13-10-3-6-17-11(15-16-12(17)8-10)7-9-1-4-14-5-2-9/h3,6,8-9,14H,1-2,4-5,7,13H2
InChIKeyJNATVLDGUNRVDG-UHFFFAOYSA-N
XLogP0.85
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117143835
7-methyl-3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 79609021
3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117144169
[3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143329
3-(oxolan-3-ylmethyl)-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 117236129
3-(cyclopropylmethyl)-8-methyl-7-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 66788310
[3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143246
3-[5-(azepan-4-ylmethyl)tetrazol-1-yl]aniline
CID 21156822
3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117145011
7-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117144305
7-bromo-3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridine
CID 84743877
3-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117145002

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
The IUPAC name of 3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine (CID 117143951) is 3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine.
What is the SMILES notation for 3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
The canonical SMILES for 3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine is Nc1ccn2c(CC3CCNCC3)nnc2c1.
What is the InChIKey of 3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
The InChIKey is JNATVLDGUNRVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c13-10-3-6-17-11(15-16-12(17)8-10)7-9-1-4-14-5-2-9/h3,6,8-9,14H,1-2,4-5,7,13H2.
What are the key properties of 3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine has a molecular weight of 231.30 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine is sourced from PubChem (CID 117143951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).