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

C16H13ClF3N5 — CID 78898466

IUPACN-[(4-chlorophenyl)methyl]-N-cyclopropyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)c1cc(N(Cc2ccc(Cl)cc2)C2CC2)n2ncnc2n1
InChIInChI=1S/C16H13ClF3N5/c17-11-3-1-10(2-4-11)8-24(12-5-6-12)14-7-13(16(18,19)20)23-15-21-9-22-25(14)15/h1-4,7,9,12H,5-6,8H2
InChIKeyMOBIXXDBFZDTEN-UHFFFAOYSA-N
MW367.76 g/mol
LogP3.97
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-N-cyclopropyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 78898466) has the molecular formula C16H13ClF3N5 and a molecular weight of 367.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-cyclopropyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-cyclopropyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID78898466
Molecular FormulaC16H13ClF3N5
Molecular Weight367.76 g/mol
Exact Mass367.08
IUPAC NameN-[(4-chlorophenyl)methyl]-N-cyclopropyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)c1cc(N(Cc2ccc(Cl)cc2)C2CC2)n2ncnc2n1
InChIInChI=1S/C16H13ClF3N5/c17-11-3-1-10(2-4-11)8-24(12-5-6-12)14-7-13(16(18,19)20)23-15-21-9-22-25(14)15/h1-4,7,9,12H,5-6,8H2
InChIKeyMOBIXXDBFZDTEN-UHFFFAOYSA-N
XLogP3.97
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.76
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 78898466) is N-[(4-chlorophenyl)methyl]-N-cyclopropyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-cyclopropyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-cyclopropyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is FC(F)(F)c1cc(N(Cc2ccc(Cl)cc2)C2CC2)n2ncnc2n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MOBIXXDBFZDTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N5/c17-11-3-1-10(2-4-11)8-24(12-5-6-12)14-7-13(16(18,19)20)23-15-21-9-22-25(14)15/h1-4,7,9,12H,5-6,8H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 367.76 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-cyclopropyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 78898466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).