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

C13H11BrF2N6O — CID 139376873

IUPAC6-[[5-bromo-6-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N)c1Cc1ccc(Br)c(OC(F)F)n1
InChIInChI=1S/C13H11BrF2N6O/c1-6-8(10(17)22-13(20-6)18-5-19-22)4-7-2-3-9(14)11(21-7)23-12(15)16/h2-3,5,12H,4,17H2,1H3
InChIKeyAZHBLVQIWNQJLF-UHFFFAOYSA-N
MW385.17 g/mol
LogP2.36
Rot. Bonds4

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

6-[[5-bromo-6-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 139376873) has the molecular formula C13H11BrF2N6O and a molecular weight of 385.17 g/mol. Its IUPAC name is 6-[[5-bromo-6-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-[[5-bromo-6-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID139376873
Molecular FormulaC13H11BrF2N6O
Molecular Weight385.17 g/mol
Exact Mass384.01
IUPAC Name6-[[5-bromo-6-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N)c1Cc1ccc(Br)c(OC(F)F)n1
InChIInChI=1S/C13H11BrF2N6O/c1-6-8(10(17)22-13(20-6)18-5-19-22)4-7-2-3-9(14)11(21-7)23-12(15)16/h2-3,5,12H,4,17H2,1H3
InChIKeyAZHBLVQIWNQJLF-UHFFFAOYSA-N
XLogP2.36
TPSA91.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.17
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-bromo-6-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-[[5-bromo-6-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 139376873) is 6-[[5-bromo-6-(difluoromethoxy)-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-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-[[5-bromo-6-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(N)c1Cc1ccc(Br)c(OC(F)F)n1.
What is the InChIKey of 6-[[5-bromo-6-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AZHBLVQIWNQJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N6O/c1-6-8(10(17)22-13(20-6)18-5-19-22)4-7-2-3-9(14)11(21-7)23-12(15)16/h2-3,5,12H,4,17H2,1H3.
What are the key properties of 6-[[5-bromo-6-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-[[5-bromo-6-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 385.17 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-bromo-6-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 139376873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).