2-(4-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine

C12H13BrN4 — CID 117128465

IUPAC2-(4-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine
SMILESNC1CCn2nc(-c3ccc(Br)cc3)nc2C1
InChIInChI=1S/C12H13BrN4/c13-9-3-1-8(2-4-9)12-15-11-7-10(14)5-6-17(11)16-12/h1-4,10H,5-7,14H2
InChIKeyOQEUCIKZNAAMQD-UHFFFAOYSA-N
MW293.17 g/mol
LogP1.98
Rot. Bonds1

About 2-(4-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine

2-(4-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine (PubChem CID 117128465) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine
PubChem CID117128465
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name2-(4-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine
SMILESNC1CCn2nc(-c3ccc(Br)cc3)nc2C1
InChIInChI=1S/C12H13BrN4/c13-9-3-1-8(2-4-9)12-15-11-7-10(14)5-6-17(11)16-12/h1-4,10H,5-7,14H2
InChIKeyOQEUCIKZNAAMQD-UHFFFAOYSA-N
XLogP1.98
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine with MolForge

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Related Compounds

2-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117128388
2-(4-bromophenyl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117127941
2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 83815358
[2-(4-tert-butylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 82568015
[2-(3-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
CID 117156323
4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-yl)aniline
CID 35395996
(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methanol
CID 117156315
2-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117157006
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine
CID 55284769
2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 82567708
2-(4-fluorophenyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 83965278
2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117154570

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
The IUPAC name of 2-(4-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine (CID 117128465) is 2-(4-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for 2-(4-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for 2-(4-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine is NC1CCn2nc(-c3ccc(Br)cc3)nc2C1.
What is the InChIKey of 2-(4-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
The InChIKey is OQEUCIKZNAAMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c13-9-3-1-8(2-4-9)12-15-11-7-10(14)5-6-17(11)16-12/h1-4,10H,5-7,14H2.
What are the key properties of 2-(4-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
2-(4-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine has a molecular weight of 293.17 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 117128465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).