N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H14F5N5 — CID 51347855

IUPACN-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2cc(F)c(C(F)(F)F)c(F)c2)n2nc(C(C)C)nc2n1
InChIInChI=1S/C16H14F5N5/c1-7(2)14-24-15-22-8(3)4-12(26(15)25-14)23-9-5-10(17)13(11(18)6-9)16(19,20)21/h4-7,23H,1-3H3
InChIKeyCZGVAYFCZJYORY-UHFFFAOYSA-N
MW371.31 g/mol
LogP4.60
Rot. Bonds3

About N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 51347855) has the molecular formula C16H14F5N5 and a molecular weight of 371.31 g/mol. Its IUPAC name is N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID51347855
Molecular FormulaC16H14F5N5
Molecular Weight371.31 g/mol
Exact Mass371.12
IUPAC NameN-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2cc(F)c(C(F)(F)F)c(F)c2)n2nc(C(C)C)nc2n1
InChIInChI=1S/C16H14F5N5/c1-7(2)14-24-15-22-8(3)4-12(26(15)25-14)23-9-5-10(17)13(11(18)6-9)16(19,20)21/h4-7,23H,1-3H3
InChIKeyCZGVAYFCZJYORY-UHFFFAOYSA-N
XLogP4.60
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 51347855) is N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2cc(F)c(C(F)(F)F)c(F)c2)n2nc(C(C)C)nc2n1.
What is the InChIKey of N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CZGVAYFCZJYORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F5N5/c1-7(2)14-24-15-22-8(3)4-12(26(15)25-14)23-9-5-10(17)13(11(18)6-9)16(19,20)21/h4-7,23H,1-3H3.
What are the key properties of N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 371.31 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 51347855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).