2-[(4-bromophenyl)methyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C14H16BrN3 — CID 117154492

IUPAC2-[(4-bromophenyl)methyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC1CCc2nc(Cc3ccc(Br)cc3)nn2C1
InChIInChI=1S/C14H16BrN3/c1-10-2-7-14-16-13(17-18(14)9-10)8-11-3-5-12(15)6-4-11/h3-6,10H,2,7-9H2,1H3
InChIKeySHFLZLYVMJFKRW-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.21
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

2-[(4-bromophenyl)methyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117154492) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117154492
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name2-[(4-bromophenyl)methyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC1CCc2nc(Cc3ccc(Br)cc3)nn2C1
InChIInChI=1S/C14H16BrN3/c1-10-2-7-14-16-13(17-18(14)9-10)8-11-3-5-12(15)6-4-11/h3-6,10H,2,7-9H2,1H3
InChIKeySHFLZLYVMJFKRW-UHFFFAOYSA-N
XLogP3.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 117154492) is 2-[(4-bromophenyl)methyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is CC1CCc2nc(Cc3ccc(Br)cc3)nn2C1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is SHFLZLYVMJFKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-10-2-7-14-16-13(17-18(14)9-10)8-11-3-5-12(15)6-4-11/h3-6,10H,2,7-9H2,1H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
2-[(4-bromophenyl)methyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 306.21 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117154492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).