6-bromo-N-methyl-N-(piperidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C13H18BrN5 — CID 106641947

IUPAC6-bromo-N-methyl-N-(piperidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCN(CC1CCCCN1)c1nc2ccc(Br)cn2n1
InChIInChI=1S/C13H18BrN5/c1-18(9-11-4-2-3-7-15-11)13-16-12-6-5-10(14)8-19(12)17-13/h5-6,8,11,15H,2-4,7,9H2,1H3
InChIKeyAWBRBZGVNZGPDJ-UHFFFAOYSA-N
MW324.23 g/mol
LogP2.07
Rot. Bonds3

About 6-bromo-N-methyl-N-(piperidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-bromo-N-methyl-N-(piperidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 106641947) has the molecular formula C13H18BrN5 and a molecular weight of 324.23 g/mol. Its IUPAC name is 6-bromo-N-methyl-N-(piperidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-methyl-N-(piperidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID106641947
Molecular FormulaC13H18BrN5
Molecular Weight324.23 g/mol
Exact Mass323.07
IUPAC Name6-bromo-N-methyl-N-(piperidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCN(CC1CCCCN1)c1nc2ccc(Br)cn2n1
InChIInChI=1S/C13H18BrN5/c1-18(9-11-4-2-3-7-15-11)13-16-12-6-5-10(14)8-19(12)17-13/h5-6,8,11,15H,2-4,7,9H2,1H3
InChIKeyAWBRBZGVNZGPDJ-UHFFFAOYSA-N
XLogP2.07
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-bromo-N-methyl-N-(piperidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106618496
6-methyl-N-(piperidin-2-ylmethyl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106642550
6-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106619859
4-chloro-N-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine
CID 97164172
N-butyl-6-chloro-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106620478
5-bromo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 71641969
5-bromo-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-amine
CID 97164291
6-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106621123
N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641999
N,4,6-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641961
5-bromo-N-ethyl-6-methyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 114046810
6-[methyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 106641943

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-N-(piperidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-bromo-N-methyl-N-(piperidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 106641947) is 6-bromo-N-methyl-N-(piperidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-methyl-N-(piperidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-bromo-N-methyl-N-(piperidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CN(CC1CCCCN1)c1nc2ccc(Br)cn2n1.
What is the InChIKey of 6-bromo-N-methyl-N-(piperidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is AWBRBZGVNZGPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5/c1-18(9-11-4-2-3-7-15-11)13-16-12-6-5-10(14)8-19(12)17-13/h5-6,8,11,15H,2-4,7,9H2,1H3.
What are the key properties of 6-bromo-N-methyl-N-(piperidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-bromo-N-methyl-N-(piperidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 324.23 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-N-(piperidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 106641947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).