[3-(2-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine

C13H11BrN4 — CID 117143426

IUPAC[3-(2-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
SMILESNCc1ccn2c(-c3ccccc3Br)nnc2c1
InChIInChI=1S/C13H11BrN4/c14-11-4-2-1-3-10(11)13-17-16-12-7-9(8-15)5-6-18(12)13/h1-7H,8,15H2
InChIKeyUUEOSFCBQLCSIA-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.62
Rot. Bonds2

About [3-(2-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine

[3-(2-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine (PubChem CID 117143426) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is [3-(2-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine.

Molecular Properties

Compound Name[3-(2-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
PubChem CID117143426
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name[3-(2-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
SMILESNCc1ccn2c(-c3ccccc3Br)nnc2c1
InChIInChI=1S/C13H11BrN4/c14-11-4-2-1-3-10(11)13-17-16-12-7-9(8-15)5-6-18(12)13/h1-7H,8,15H2
InChIKeyUUEOSFCBQLCSIA-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-(2-bromophenyl)-N-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 53197060
3-[[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]phenol
CID 117143369
2-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol
CID 117143193
8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-14-ylmethanamine
CID 81463271
3-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol
CID 117143189
[3-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143384
[3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143372
[3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143392
N-methyl-1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine
CID 83871132
11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-14-ylmethanamine
CID 81462372
ethane;3-(2-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 145469042
7-methoxy-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117143138

Frequently Asked Questions

What is the IUPAC name of [3-(2-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The IUPAC name of [3-(2-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine (CID 117143426) is [3-(2-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine.
What is the SMILES notation for [3-(2-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The canonical SMILES for [3-(2-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine is NCc1ccn2c(-c3ccccc3Br)nnc2c1.
What is the InChIKey of [3-(2-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The InChIKey is UUEOSFCBQLCSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c14-11-4-2-1-3-10(11)13-17-16-12-7-9(8-15)5-6-18(12)13/h1-7H,8,15H2.
What are the key properties of [3-(2-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
[3-(2-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-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-(2-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine is sourced from PubChem (CID 117143426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).