[3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine

C13H11BrN4 — CID 117145864

IUPAC[3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
SMILESNCc1cccn2c(-c3cccc(Br)c3)nnc12
InChIInChI=1S/C13H11BrN4/c14-11-5-1-3-9(7-11)12-16-17-13-10(8-15)4-2-6-18(12)13/h1-7H,8,15H2
InChIKeyKZIPBSRXADWEBR-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.62
Rot. Bonds2

About [3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine

[3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine (PubChem CID 117145864) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is [3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine.

Molecular Properties

Compound Name[3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
PubChem CID117145864
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name[3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
SMILESNCc1cccn2c(-c3cccc(Br)c3)nnc12
InChIInChI=1S/C13H11BrN4/c14-11-5-1-3-9(7-11)12-16-17-13-10(8-15)4-2-6-18(12)13/h1-7H,8,15H2
InChIKeyKZIPBSRXADWEBR-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methanamine
CID 82054849
[3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
CID 117145868
3-(3-bromophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117147131
4-[8-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
CID 137006635
3-(3-bromophenyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117145584
3-(3-bromophenyl)-6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080057
3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 82058636
3-(3-bromophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 105393304
(3-bromoimidazo[1,2-a]pyridin-8-yl)methanamine
CID 82618151
3-[5-(3-bromophenyl)tetrazol-1-yl]propan-1-amine
CID 61373336
[5-(3-bromophenyl)-1-methyltriazol-4-yl]methanamine
CID 82207882
5-(3-bromophenyl)-1-methyltetrazole
CID 66904947

Frequently Asked Questions

What is the IUPAC name of [3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine?
The IUPAC name of [3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine (CID 117145864) is [3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine.
What is the SMILES notation for [3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine?
The canonical SMILES for [3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine is NCc1cccn2c(-c3cccc(Br)c3)nnc12.
What is the InChIKey of [3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine?
The InChIKey is KZIPBSRXADWEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c14-11-5-1-3-9(7-11)12-16-17-13-10(8-15)4-2-6-18(12)13/h1-7H,8,15H2.
What are the key properties of [3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine?
[3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine has a molecular weight of 303.16 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine is sourced from PubChem (CID 117145864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).