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

C13H9ClF3N5 — CID 4909257

IUPACN-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(Cl)cc2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C13H9ClF3N5/c1-7-6-10(19-9-4-2-8(14)3-5-9)22-12(18-7)20-11(21-22)13(15,16)17/h2-6,19H,1H3
InChIKeyCMTZXCREJMUZHB-UHFFFAOYSA-N
MW327.70 g/mol
LogP3.85
Rot. Bonds2

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

N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 4909257) has the molecular formula C13H9ClF3N5 and a molecular weight of 327.70 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID4909257
Molecular FormulaC13H9ClF3N5
Molecular Weight327.70 g/mol
Exact Mass327.05
IUPAC NameN-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(Cl)cc2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C13H9ClF3N5/c1-7-6-10(19-9-4-2-8(14)3-5-9)22-12(18-7)20-11(21-22)13(15,16)17/h2-6,19H,1H3
InChIKeyCMTZXCREJMUZHB-UHFFFAOYSA-N
XLogP3.85
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.70
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 4909257) is N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc(Cl)cc2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CMTZXCREJMUZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N5/c1-7-6-10(19-9-4-2-8(14)3-5-9)22-12(18-7)20-11(21-22)13(15,16)17/h2-6,19H,1H3.
What are the key properties of N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 327.70 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 4909257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).