5-bromo-8-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-6-amine

C12H9BrFN5 — CID 157471762

IUPAC5-bromo-8-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-6-amine
SMILESCc1nc2c(-c3ccc(F)cc3)nc(N)c(Br)n2n1
InChIInChI=1S/C12H9BrFN5/c1-6-16-12-9(7-2-4-8(14)5-3-7)17-11(15)10(13)19(12)18-6/h2-5H,15H2,1H3
InChIKeyBVCRVSWKADKNPW-UHFFFAOYSA-N
MW322.14 g/mol
LogP2.58
Rot. Bonds1

About 5-bromo-8-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-6-amine

5-bromo-8-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-6-amine (PubChem CID 157471762) has the molecular formula C12H9BrFN5 and a molecular weight of 322.14 g/mol. Its IUPAC name is 5-bromo-8-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-6-amine.

Molecular Properties

Compound Name5-bromo-8-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-6-amine
PubChem CID157471762
Molecular FormulaC12H9BrFN5
Molecular Weight322.14 g/mol
Exact Mass321.00
IUPAC Name5-bromo-8-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-6-amine
SMILESCc1nc2c(-c3ccc(F)cc3)nc(N)c(Br)n2n1
InChIInChI=1S/C12H9BrFN5/c1-6-16-12-9(7-2-4-8(14)5-3-7)17-11(15)10(13)19(12)18-6/h2-5H,15H2,1H3
InChIKeyBVCRVSWKADKNPW-UHFFFAOYSA-N
XLogP2.58
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-6-amine?
The IUPAC name of 5-bromo-8-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-6-amine (CID 157471762) is 5-bromo-8-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-6-amine.
What is the SMILES notation for 5-bromo-8-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-6-amine?
The canonical SMILES for 5-bromo-8-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-6-amine is Cc1nc2c(-c3ccc(F)cc3)nc(N)c(Br)n2n1.
What is the InChIKey of 5-bromo-8-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-6-amine?
The InChIKey is BVCRVSWKADKNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN5/c1-6-16-12-9(7-2-4-8(14)5-3-7)17-11(15)10(13)19(12)18-6/h2-5H,15H2,1H3.
What are the key properties of 5-bromo-8-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-6-amine?
5-bromo-8-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-6-amine has a molecular weight of 322.14 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-6-amine is sourced from PubChem (CID 157471762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).