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

C14H9F6N5 — CID 51347394

IUPACN-[3,4-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(C(F)(F)F)c(C(F)(F)F)c2)n2ncnc2n1
InChIInChI=1S/C14H9F6N5/c1-7-4-11(25-12(23-7)21-6-22-25)24-8-2-3-9(13(15,16)17)10(5-8)14(18,19)20/h2-6,24H,1H3
InChIKeyOIKAFCNSMKUYRB-UHFFFAOYSA-N
MW361.25 g/mol
LogP4.21
Rot. Bonds2

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

N-[3,4-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 51347394) has the molecular formula C14H9F6N5 and a molecular weight of 361.25 g/mol. Its IUPAC name is N-[3,4-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[3,4-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID51347394
Molecular FormulaC14H9F6N5
Molecular Weight361.25 g/mol
Exact Mass361.08
IUPAC NameN-[3,4-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(C(F)(F)F)c(C(F)(F)F)c2)n2ncnc2n1
InChIInChI=1S/C14H9F6N5/c1-7-4-11(25-12(23-7)21-6-22-25)24-8-2-3-9(13(15,16)17)10(5-8)14(18,19)20/h2-6,24H,1H3
InChIKeyOIKAFCNSMKUYRB-UHFFFAOYSA-N
XLogP4.21
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3,4-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[3,4-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 51347394) is N-[3,4-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[3,4-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[3,4-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc(C(F)(F)F)c(C(F)(F)F)c2)n2ncnc2n1.
What is the InChIKey of N-[3,4-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OIKAFCNSMKUYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N5/c1-7-4-11(25-12(23-7)21-6-22-25)24-8-2-3-9(13(15,16)17)10(5-8)14(18,19)20/h2-6,24H,1H3.
What are the key properties of N-[3,4-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[3,4-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 361.25 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 51347394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).