3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine

C12H15BrN4 — CID 65348038

IUPAC3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine
SMILESNC1CCCC(c2nnc3ccc(Br)cn23)C1
InChIInChI=1S/C12H15BrN4/c13-9-4-5-11-15-16-12(17(11)7-9)8-2-1-3-10(14)6-8/h4-5,7-8,10H,1-3,6,14H2
InChIKeyRVCFPMQHFXMIKF-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.48
Rot. Bonds1

About 3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine

3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine (PubChem CID 65348038) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine
PubChem CID65348038
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine
SMILESNC1CCCC(c2nnc3ccc(Br)cn23)C1
InChIInChI=1S/C12H15BrN4/c13-9-4-5-11-15-16-12(17(11)7-9)8-2-1-3-10(14)6-8/h4-5,7-8,10H,1-3,6,14H2
InChIKeyRVCFPMQHFXMIKF-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

Analyze 3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine?
The IUPAC name of 3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine (CID 65348038) is 3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine?
The canonical SMILES for 3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine is NC1CCCC(c2nnc3ccc(Br)cn23)C1.
What is the InChIKey of 3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine?
The InChIKey is RVCFPMQHFXMIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c13-9-4-5-11-15-16-12(17(11)7-9)8-2-1-3-10(14)6-8/h4-5,7-8,10H,1-3,6,14H2.
What are the key properties of 3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine?
3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-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 3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 65348038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).