N-(azepan-4-yl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C14H21N5 — CID 107173995

IUPACN-(azepan-4-yl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ccn2nc(N(C)C3CCCNCC3)nc2c1
InChIInChI=1S/C14H21N5/c1-11-6-9-19-13(10-11)16-14(17-19)18(2)12-4-3-7-15-8-5-12/h6,9-10,12,15H,3-5,7-8H2,1-2H3
InChIKeyGFNXOQKWXVLFJN-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.62
Rot. Bonds2

About N-(azepan-4-yl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-(azepan-4-yl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 107173995) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-(azepan-4-yl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(azepan-4-yl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID107173995
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-(azepan-4-yl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ccn2nc(N(C)C3CCCNCC3)nc2c1
InChIInChI=1S/C14H21N5/c1-11-6-9-19-13(10-11)16-14(17-19)18(2)12-4-3-7-15-8-5-12/h6,9-10,12,15H,3-5,7-8H2,1-2H3
InChIKeyGFNXOQKWXVLFJN-UHFFFAOYSA-N
XLogP1.62
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-7-methyl-N-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106643340
7-methyl-2-piperidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83964859
N-(4,6-dimethoxypyrimidin-2-yl)-N-methylazepan-4-amine
CID 107174242
N-(2,6-dimethylpiperidin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 83026621
7-methyl-2-(1-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116989776
N-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]azepan-4-amine
CID 107172122
7-methyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116989716
N,5-dimethyl-N-piperidin-4-ylpyrimidin-2-amine;dihydrochloride
CID 171700739
N,6-dimethyl-N-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106642913
N-methyl-N-(2-methylphenyl)azepan-4-amine
CID 112690295
7-methyl-2-(2-piperazin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116989777
8-methyl-2-[[methyl(piperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 63643365

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-(azepan-4-yl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 107173995) is N-(azepan-4-yl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-(azepan-4-yl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-(azepan-4-yl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1ccn2nc(N(C)C3CCCNCC3)nc2c1.
What is the InChIKey of N-(azepan-4-yl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is GFNXOQKWXVLFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-11-6-9-19-13(10-11)16-14(17-19)18(2)12-4-3-7-15-8-5-12/h6,9-10,12,15H,3-5,7-8H2,1-2H3.
What are the key properties of N-(azepan-4-yl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-(azepan-4-yl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 259.36 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 107173995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).