N-[4-bromo-3-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C15H11BrF3N5O — CID 26197914

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3ccc(Br)c(C(F)(F)F)c3)nc2n1
InChIInChI=1S/C15H11BrF3N5O/c1-7-5-8(2)24-14(20-7)22-12(23-24)13(25)21-9-3-4-11(16)10(6-9)15(17,18)19/h3-6H,1-2H3,(H,21,25)
InChIKeyRINZLQQOLZZMQO-UHFFFAOYSA-N
MW414.19 g/mol
LogP3.77
Rot. Bonds2

About N-[4-bromo-3-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[4-bromo-3-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 26197914) has the molecular formula C15H11BrF3N5O and a molecular weight of 414.19 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID26197914
Molecular FormulaC15H11BrF3N5O
Molecular Weight414.19 g/mol
Exact Mass413.01
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3ccc(Br)c(C(F)(F)F)c3)nc2n1
InChIInChI=1S/C15H11BrF3N5O/c1-7-5-8(2)24-14(20-7)22-12(23-24)13(25)21-9-3-4-11(16)10(6-9)15(17,18)19/h3-6H,1-2H3,(H,21,25)
InChIKeyRINZLQQOLZZMQO-UHFFFAOYSA-N
XLogP3.77
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.19
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26737028
N-(3-iodo-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 7925593
N-(4-carbamoylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 8885438
N-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2476515
N-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
CID 2421792
5,7-dimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2671499
5,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 41369796
N-(2-fluoro-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17404340
5,7-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 27052907
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 609815
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2569760
5,7-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2117306

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 26197914) is N-[4-bromo-3-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)Nc3ccc(Br)c(C(F)(F)F)c3)nc2n1.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is RINZLQQOLZZMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3N5O/c1-7-5-8(2)24-14(20-7)22-12(23-24)13(25)21-9-3-4-11(16)10(6-9)15(17,18)19/h3-6H,1-2H3,(H,21,25).
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 414.19 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 26197914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).