6-bromo-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C14H13BrN4O — CID 171578103

IUPAC6-bromo-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCOc1ccc(CNc2c(Br)ccc3ncnn23)cc1
InChIInChI=1S/C14H13BrN4O/c1-20-11-4-2-10(3-5-11)8-16-14-12(15)6-7-13-17-9-18-19(13)14/h2-7,9,16H,8H2,1H3
InChIKeyYLJLHNYNUHSBKH-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.11
Rot. Bonds4

About 6-bromo-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine

6-bromo-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 171578103) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is 6-bromo-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name6-bromo-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID171578103
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name6-bromo-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCOc1ccc(CNc2c(Br)ccc3ncnn23)cc1
InChIInChI=1S/C14H13BrN4O/c1-20-11-4-2-10(3-5-11)8-16-14-12(15)6-7-13-17-9-18-19(13)14/h2-7,9,16H,8H2,1H3
InChIKeyYLJLHNYNUHSBKH-UHFFFAOYSA-N
XLogP3.11
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 6-bromo-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 171578103) is 6-bromo-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 6-bromo-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 6-bromo-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine is COc1ccc(CNc2c(Br)ccc3ncnn23)cc1.
What is the InChIKey of 6-bromo-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is YLJLHNYNUHSBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-20-11-4-2-10(3-5-11)8-16-14-12(15)6-7-13-17-9-18-19(13)14/h2-7,9,16H,8H2,1H3.
What are the key properties of 6-bromo-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
6-bromo-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 333.19 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 171578103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).