7-propyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

C15H14F3N5 — CID 14685671

IUPAC7-propyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESCCCc1cc2nc(N)nn2c(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H14F3N5/c1-2-4-11-8-12-21-14(19)22-23(12)13(20-11)9-5-3-6-10(7-9)15(16,17)18/h3,5-8H,2,4H2,1H3,(H2,19,22)
InChIKeyPSZRYUFDUVSFOB-UHFFFAOYSA-N
MW321.31 g/mol
LogP3.34
Rot. Bonds3

About 7-propyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

7-propyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (PubChem CID 14685671) has the molecular formula C15H14F3N5 and a molecular weight of 321.31 g/mol. Its IUPAC name is 7-propyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.

Molecular Properties

Compound Name7-propyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
PubChem CID14685671
Molecular FormulaC15H14F3N5
Molecular Weight321.31 g/mol
Exact Mass321.12
IUPAC Name7-propyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESCCCc1cc2nc(N)nn2c(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H14F3N5/c1-2-4-11-8-12-21-14(19)22-23(12)13(20-11)9-5-3-6-10(7-9)15(16,17)18/h3,5-8H,2,4H2,1H3,(H2,19,22)
InChIKeyPSZRYUFDUVSFOB-UHFFFAOYSA-N
XLogP3.34
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-propyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The IUPAC name of 7-propyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (CID 14685671) is 7-propyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.
What is the SMILES notation for 7-propyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The canonical SMILES for 7-propyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is CCCc1cc2nc(N)nn2c(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 7-propyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The InChIKey is PSZRYUFDUVSFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5/c1-2-4-11-8-12-21-14(19)22-23(12)13(20-11)9-5-3-6-10(7-9)15(16,17)18/h3,5-8H,2,4H2,1H3,(H2,19,22).
What are the key properties of 7-propyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
7-propyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine has a molecular weight of 321.31 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is sourced from PubChem (CID 14685671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).