3-[(4-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine

C14H12BrN3 — CID 117139685

IUPAC3-[(4-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc2nnc(Cc3ccc(Br)cc3)n2c1
InChIInChI=1S/C14H12BrN3/c1-10-2-7-13-16-17-14(18(13)9-10)8-11-3-5-12(15)6-4-11/h2-7,9H,8H2,1H3
InChIKeyFMASWDSKMUDVGB-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.39
Rot. Bonds2

About 3-[(4-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine

3-[(4-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117139685) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117139685
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name3-[(4-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc2nnc(Cc3ccc(Br)cc3)n2c1
InChIInChI=1S/C14H12BrN3/c1-10-2-7-13-16-17-14(18(13)9-10)8-11-3-5-12(15)6-4-11/h2-7,9H,8H2,1H3
InChIKeyFMASWDSKMUDVGB-UHFFFAOYSA-N
XLogP3.39
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(4-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine (CID 117139685) is 3-[(4-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine is Cc1ccc2nnc(Cc3ccc(Br)cc3)n2c1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is FMASWDSKMUDVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-10-2-7-13-16-17-14(18(13)9-10)8-11-3-5-12(15)6-4-11/h2-7,9H,8H2,1H3.
What are the key properties of 3-[(4-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine?
3-[(4-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 302.18 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117139685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).