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

C12H13BrN4 — CID 117128421

IUPAC2-(2-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESNC1CCCc2nc(-c3ccccc3Br)nn21
InChIInChI=1S/C12H13BrN4/c13-9-5-2-1-4-8(9)12-15-11-7-3-6-10(14)17(11)16-12/h1-2,4-5,10H,3,6-7,14H2
InChIKeyNHTCGMMNGKSSGH-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.50
Rot. Bonds1

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

2-(2-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 117128421) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID117128421
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name2-(2-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESNC1CCCc2nc(-c3ccccc3Br)nn21
InChIInChI=1S/C12H13BrN4/c13-9-5-2-1-4-8(9)12-15-11-7-3-6-10(14)17(11)16-12/h1-2,4-5,10H,3,6-7,14H2
InChIKeyNHTCGMMNGKSSGH-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 2-(2-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 117128421) is 2-(2-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 2-(2-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 2-(2-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine is NC1CCCc2nc(-c3ccccc3Br)nn21.
What is the InChIKey of 2-(2-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is NHTCGMMNGKSSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c13-9-5-2-1-4-8(9)12-15-11-7-3-6-10(14)17(11)16-12/h1-2,4-5,10H,3,6-7,14H2.
What are the key properties of 2-(2-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
2-(2-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 293.17 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 117128421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).