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

C13H11BrN4 — CID 65349324

IUPAC(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-phenylmethanamine
SMILESNC(c1ccccc1)c1nnc2ccc(Br)cn12
InChIInChI=1S/C13H11BrN4/c14-10-6-7-11-16-17-13(18(11)8-10)12(15)9-4-2-1-3-5-9/h1-8,12H,15H2
InChIKeyPYJQNMCNGAYZBE-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.54
Rot. Bonds2

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

(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-phenylmethanamine (PubChem CID 65349324) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-phenylmethanamine.

Molecular Properties

Compound Name(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-phenylmethanamine
PubChem CID65349324
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-phenylmethanamine
SMILESNC(c1ccccc1)c1nnc2ccc(Br)cn12
InChIInChI=1S/C13H11BrN4/c14-10-6-7-11-16-17-13(18(11)8-10)12(15)9-4-2-1-3-5-9/h1-8,12H,15H2
InChIKeyPYJQNMCNGAYZBE-UHFFFAOYSA-N
XLogP2.54
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-phenylmethanamine?
The IUPAC name of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-phenylmethanamine (CID 65349324) is (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-phenylmethanamine.
What is the SMILES notation for (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-phenylmethanamine?
The canonical SMILES for (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-phenylmethanamine is NC(c1ccccc1)c1nnc2ccc(Br)cn12.
What is the InChIKey of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-phenylmethanamine?
The InChIKey is PYJQNMCNGAYZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c14-10-6-7-11-16-17-13(18(11)8-10)12(15)9-4-2-1-3-5-9/h1-8,12H,15H2.
What are the key properties of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-phenylmethanamine?
(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-phenylmethanamine has a molecular weight of 303.16 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-phenylmethanamine is sourced from PubChem (CID 65349324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).