4-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-amine

C12H15BrN4 — CID 116989906

IUPAC4-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-amine
SMILESNC1CCC(c2nc3ccc(Br)cn3n2)CC1
InChIInChI=1S/C12H15BrN4/c13-9-3-6-11-15-12(16-17(11)7-9)8-1-4-10(14)5-2-8/h3,6-8,10H,1-2,4-5,14H2
InChIKeyFTOLGVNVSFSJII-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.48
Rot. Bonds1

About 4-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-amine

4-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-amine (PubChem CID 116989906) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 4-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-amine
PubChem CID116989906
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name4-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-amine
SMILESNC1CCC(c2nc3ccc(Br)cn3n2)CC1
InChIInChI=1S/C12H15BrN4/c13-9-3-6-11-15-12(16-17(11)7-9)8-1-4-10(14)5-2-8/h3,6-8,10H,1-2,4-5,14H2
InChIKeyFTOLGVNVSFSJII-UHFFFAOYSA-N
XLogP2.48
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117128802
2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 75481318
4-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine
CID 65349561
2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylic acid
CID 116989919
[2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 117128913
6-methyl-2-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117128942
4-[4-(4-bromophenyl)pyrimidin-2-yl]cyclohexan-1-amine
CID 116899111
6-bromo-N-(1,3-dimethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114504757
6-methyl-2-(thiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117128822
1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropan-2-amine
CID 116989892
6-bromo-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117129831
6-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 83899513

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-amine (CID 116989906) is 4-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-amine is NC1CCC(c2nc3ccc(Br)cn3n2)CC1.
What is the InChIKey of 4-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-amine?
The InChIKey is FTOLGVNVSFSJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c13-9-3-6-11-15-12(16-17(11)7-9)8-1-4-10(14)5-2-8/h3,6-8,10H,1-2,4-5,14H2.
What are the key properties of 4-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-amine?
4-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-amine has a molecular weight of 295.18 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 116989906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).