6-[[5-bromo-6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H14BrF2N7 — CID 155792464

IUPAC6-[[5-bromo-6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N)c1Cc1ccc(Br)c(N2CC(F)(F)C2)n1
InChIInChI=1S/C15H14BrF2N7/c1-8-10(12(19)25-14(22-8)20-7-21-25)4-9-2-3-11(16)13(23-9)24-5-15(17,18)6-24/h2-3,7H,4-6,19H2,1H3
InChIKeyQFWZGGBGMXAVRJ-UHFFFAOYSA-N
MW410.23 g/mol
LogP2.22
Rot. Bonds3

About 6-[[5-bromo-6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-[[5-bromo-6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 155792464) has the molecular formula C15H14BrF2N7 and a molecular weight of 410.23 g/mol. Its IUPAC name is 6-[[5-bromo-6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-[[5-bromo-6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID155792464
Molecular FormulaC15H14BrF2N7
Molecular Weight410.23 g/mol
Exact Mass409.05
IUPAC Name6-[[5-bromo-6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N)c1Cc1ccc(Br)c(N2CC(F)(F)C2)n1
InChIInChI=1S/C15H14BrF2N7/c1-8-10(12(19)25-14(22-8)20-7-21-25)4-9-2-3-11(16)13(23-9)24-5-15(17,18)6-24/h2-3,7H,4-6,19H2,1H3
InChIKeyQFWZGGBGMXAVRJ-UHFFFAOYSA-N
XLogP2.22
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.23
LogP ≤ 52.22
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-(3,3-difluoroazetidin-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-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 155792464) is 6-[[5-bromo-6-(3,3-difluoroazetidin-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-(3,3-difluoroazetidin-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-(3,3-difluoroazetidin-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)(F)C2)n1.
What is the InChIKey of 6-[[5-bromo-6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QFWZGGBGMXAVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N7/c1-8-10(12(19)25-14(22-8)20-7-21-25)4-9-2-3-11(16)13(23-9)24-5-15(17,18)6-24/h2-3,7H,4-6,19H2,1H3.
What are the key properties of 6-[[5-bromo-6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-[[5-bromo-6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 410.23 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-bromo-6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 155792464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).