2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H15F2N5 — CID 71079216

IUPAC2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cccc(Nc2cc(C)nc3nc(C(C)(F)F)nn23)c1
InChIInChI=1S/C15H15F2N5/c1-9-5-4-6-11(7-9)19-12-8-10(2)18-14-20-13(15(3,16)17)21-22(12)14/h4-8,19H,1-3H3
InChIKeyDANUYAFZKLMLQW-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.60
Rot. Bonds3

About 2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71079216) has the molecular formula C15H15F2N5 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID71079216
Molecular FormulaC15H15F2N5
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cccc(Nc2cc(C)nc3nc(C(C)(F)F)nn23)c1
InChIInChI=1S/C15H15F2N5/c1-9-5-4-6-11(7-9)19-12-8-10(2)18-14-20-13(15(3,16)17)21-22(12)14/h4-8,19H,1-3H3
InChIKeyDANUYAFZKLMLQW-UHFFFAOYSA-N
XLogP3.60
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 71079216) is 2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cccc(Nc2cc(C)nc3nc(C(C)(F)F)nn23)c1.
What is the InChIKey of 2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DANUYAFZKLMLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5/c1-9-5-4-6-11(7-9)19-12-8-10(2)18-14-20-13(15(3,16)17)21-22(12)14/h4-8,19H,1-3H3.
What are the key properties of 2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 303.32 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71079216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).