6-[[5-bromo-6-(4-fluoropyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H12BrFN8 — CID 139369667

IUPAC6-[[5-bromo-6-(4-fluoropyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N)c1Cc1ccc(Br)c(-n2cc(F)cn2)n1
InChIInChI=1S/C15H12BrFN8/c1-8-11(13(18)25-15(22-8)19-7-21-25)4-10-2-3-12(16)14(23-10)24-6-9(17)5-20-24/h2-3,5-7H,4,18H2,1H3
InChIKeyHFBUHBUXTXXZBB-UHFFFAOYSA-N
MW403.22 g/mol
LogP2.09
Rot. Bonds3

About 6-[[5-bromo-6-(4-fluoropyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-[[5-bromo-6-(4-fluoropyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 139369667) has the molecular formula C15H12BrFN8 and a molecular weight of 403.22 g/mol. Its IUPAC name is 6-[[5-bromo-6-(4-fluoropyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-[[5-bromo-6-(4-fluoropyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID139369667
Molecular FormulaC15H12BrFN8
Molecular Weight403.22 g/mol
Exact Mass402.04
IUPAC Name6-[[5-bromo-6-(4-fluoropyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N)c1Cc1ccc(Br)c(-n2cc(F)cn2)n1
InChIInChI=1S/C15H12BrFN8/c1-8-11(13(18)25-15(22-8)19-7-21-25)4-10-2-3-12(16)14(23-10)24-6-9(17)5-20-24/h2-3,5-7H,4,18H2,1H3
InChIKeyHFBUHBUXTXXZBB-UHFFFAOYSA-N
XLogP2.09
TPSA99.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-bromo-6-(4-fluoropyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-[[5-bromo-6-(4-fluoropyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 139369667) is 6-[[5-bromo-6-(4-fluoropyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-[[5-bromo-6-(4-fluoropyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-[[5-bromo-6-(4-fluoropyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(N)c1Cc1ccc(Br)c(-n2cc(F)cn2)n1.
What is the InChIKey of 6-[[5-bromo-6-(4-fluoropyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HFBUHBUXTXXZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN8/c1-8-11(13(18)25-15(22-8)19-7-21-25)4-10-2-3-12(16)14(23-10)24-6-9(17)5-20-24/h2-3,5-7H,4,18H2,1H3.
What are the key properties of 6-[[5-bromo-6-(4-fluoropyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-[[5-bromo-6-(4-fluoropyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 403.22 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-bromo-6-(4-fluoropyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 139369667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).