N-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]cyclopentanamine

C12H15BrN4 — CID 117257987

IUPACN-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]cyclopentanamine
SMILESBrc1cccn2nc(CNC3CCCC3)nc12
InChIInChI=1S/C12H15BrN4/c13-10-6-3-7-17-12(10)15-11(16-17)8-14-9-4-1-2-5-9/h3,6-7,9,14H,1-2,4-5,8H2
InChIKeyFUOCBMDEAZUJRI-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.52
Rot. Bonds3

About N-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]cyclopentanamine

N-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]cyclopentanamine (PubChem CID 117257987) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is N-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]cyclopentanamine
PubChem CID117257987
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC NameN-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]cyclopentanamine
SMILESBrc1cccn2nc(CNC3CCCC3)nc12
InChIInChI=1S/C12H15BrN4/c13-10-6-3-7-17-12(10)15-11(16-17)8-14-9-4-1-2-5-9/h3,6-7,9,14H,1-2,4-5,8H2
InChIKeyFUOCBMDEAZUJRI-UHFFFAOYSA-N
XLogP2.52
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylethanamine
CID 83844072
8-bromo-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117258015
8-bromo-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117137491
8-methyl-2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136836
N-[(3-bromoimidazo[1,5-a]pyridin-1-yl)methyl]cyclopentanamine
CID 117246996
N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]cyclopropanamine
CID 116989478
N-methyl-1-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanamine
CID 83866288
N-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine
CID 114019817
2-[(1,1-dioxothian-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117136895
4-[2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzoic acid
CID 123222984
N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]cyclododecanamine
CID 56669725
8-bromo-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117137276

Frequently Asked Questions

What is the IUPAC name of N-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]cyclopentanamine (CID 117257987) is N-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]cyclopentanamine is Brc1cccn2nc(CNC3CCCC3)nc12.
What is the InChIKey of N-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]cyclopentanamine?
The InChIKey is FUOCBMDEAZUJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c13-10-6-3-7-17-12(10)15-11(16-17)8-14-9-4-1-2-5-9/h3,6-7,9,14H,1-2,4-5,8H2.
What are the key properties of N-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]cyclopentanamine?
N-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]cyclopentanamine has a molecular weight of 295.18 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]cyclopentanamine is sourced from PubChem (CID 117257987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).