N-(5-fluoro-2,6-dimethylpyrimidin-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C13H17FN6 — CID 136513120

IUPACN-(5-fluoro-2,6-dimethylpyrimidin-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCc1nc(C)c(F)c(NC2CCCn3nc(C)nc32)n1
InChIInChI=1S/C13H17FN6/c1-7-11(14)12(16-8(2)15-7)18-10-5-4-6-20-13(10)17-9(3)19-20/h10H,4-6H2,1-3H3,(H,15,16,18)
InChIKeyVPBQFYMUUNNENT-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.08
Rot. Bonds2

About N-(5-fluoro-2,6-dimethylpyrimidin-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

N-(5-fluoro-2,6-dimethylpyrimidin-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 136513120) has the molecular formula C13H17FN6 and a molecular weight of 276.32 g/mol. Its IUPAC name is N-(5-fluoro-2,6-dimethylpyrimidin-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound NameN-(5-fluoro-2,6-dimethylpyrimidin-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID136513120
Molecular FormulaC13H17FN6
Molecular Weight276.32 g/mol
Exact Mass276.15
IUPAC NameN-(5-fluoro-2,6-dimethylpyrimidin-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCc1nc(C)c(F)c(NC2CCCn3nc(C)nc32)n1
InChIInChI=1S/C13H17FN6/c1-7-11(14)12(16-8(2)15-7)18-10-5-4-6-20-13(10)17-9(3)19-20/h10H,4-6H2,1-3H3,(H,15,16,18)
InChIKeyVPBQFYMUUNNENT-UHFFFAOYSA-N
XLogP2.08
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2,6-dimethylpyrimidin-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of N-(5-fluoro-2,6-dimethylpyrimidin-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 136513120) is N-(5-fluoro-2,6-dimethylpyrimidin-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for N-(5-fluoro-2,6-dimethylpyrimidin-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for N-(5-fluoro-2,6-dimethylpyrimidin-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is Cc1nc(C)c(F)c(NC2CCCn3nc(C)nc32)n1.
What is the InChIKey of N-(5-fluoro-2,6-dimethylpyrimidin-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is VPBQFYMUUNNENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN6/c1-7-11(14)12(16-8(2)15-7)18-10-5-4-6-20-13(10)17-9(3)19-20/h10H,4-6H2,1-3H3,(H,15,16,18).
What are the key properties of N-(5-fluoro-2,6-dimethylpyrimidin-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
N-(5-fluoro-2,6-dimethylpyrimidin-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 276.32 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2,6-dimethylpyrimidin-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 136513120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).