N-(4-chloro-3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H11ClFN5 — CID 71079204

IUPACN-(4-chloro-3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(Cl)c(F)c2)n2nc(C)nc2n1
InChIInChI=1S/C13H11ClFN5/c1-7-5-12(20-13(16-7)17-8(2)19-20)18-9-3-4-10(14)11(15)6-9/h3-6,18H,1-2H3
InChIKeyZDEVILZYILPGBA-UHFFFAOYSA-N
MW291.72 g/mol
LogP3.28
Rot. Bonds2

About N-(4-chloro-3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(4-chloro-3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71079204) has the molecular formula C13H11ClFN5 and a molecular weight of 291.72 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID71079204
Molecular FormulaC13H11ClFN5
Molecular Weight291.72 g/mol
Exact Mass291.07
IUPAC NameN-(4-chloro-3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(Cl)c(F)c2)n2nc(C)nc2n1
InChIInChI=1S/C13H11ClFN5/c1-7-5-12(20-13(16-7)17-8(2)19-20)18-9-3-4-10(14)11(15)6-9/h3-6,18H,1-2H3
InChIKeyZDEVILZYILPGBA-UHFFFAOYSA-N
XLogP3.28
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.72
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308128
N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 4909257
N-(4-chlorophenyl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 51347101
N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 67119856
N-(3-chloro-4-methylphenyl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608472
N-(2,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 71595069
N-(4-chloro-3-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80897072
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 7416167
N-(3-chlorophenyl)-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 51347854
2-(4-tert-butylphenyl)-N-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 23608530
N-(3-fluorophenyl)-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22575553
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

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 71079204) is N-(4-chloro-3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc(Cl)c(F)c2)n2nc(C)nc2n1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZDEVILZYILPGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN5/c1-7-5-12(20-13(16-7)17-8(2)19-20)18-9-3-4-10(14)11(15)6-9/h3-6,18H,1-2H3.
What are the key properties of N-(4-chloro-3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(4-chloro-3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 291.72 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71079204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).