5-chloro-N-(3-fluoroprop-2-enyl)-6-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H8ClF4N5 — CID 173055503

IUPAC5-chloro-N-(3-fluoroprop-2-enyl)-6-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFC=CCNc1c(-c2ccc(F)c(F)c2F)c(Cl)nc2ncnn12
InChIInChI=1S/C14H8ClF4N5/c15-12-9(7-2-3-8(17)11(19)10(7)18)13(20-5-1-4-16)24-14(23-12)21-6-22-24/h1-4,6,20H,5H2
InChIKeyQLISDEARLCTVJJ-UHFFFAOYSA-N
MW357.70 g/mol
LogP3.76
Rot. Bonds4

About 5-chloro-N-(3-fluoroprop-2-enyl)-6-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-(3-fluoroprop-2-enyl)-6-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 173055503) has the molecular formula C14H8ClF4N5 and a molecular weight of 357.70 g/mol. Its IUPAC name is 5-chloro-N-(3-fluoroprop-2-enyl)-6-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(3-fluoroprop-2-enyl)-6-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID173055503
Molecular FormulaC14H8ClF4N5
Molecular Weight357.70 g/mol
Exact Mass357.04
IUPAC Name5-chloro-N-(3-fluoroprop-2-enyl)-6-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFC=CCNc1c(-c2ccc(F)c(F)c2F)c(Cl)nc2ncnn12
InChIInChI=1S/C14H8ClF4N5/c15-12-9(7-2-3-8(17)11(19)10(7)18)13(20-5-1-4-16)24-14(23-12)21-6-22-24/h1-4,6,20H,5H2
InChIKeyQLISDEARLCTVJJ-UHFFFAOYSA-N
XLogP3.76
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.70
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-fluoroprop-2-enyl)-6-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(3-fluoroprop-2-enyl)-6-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 173055503) is 5-chloro-N-(3-fluoroprop-2-enyl)-6-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(3-fluoroprop-2-enyl)-6-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(3-fluoroprop-2-enyl)-6-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is FC=CCNc1c(-c2ccc(F)c(F)c2F)c(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-N-(3-fluoroprop-2-enyl)-6-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QLISDEARLCTVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF4N5/c15-12-9(7-2-3-8(17)11(19)10(7)18)13(20-5-1-4-16)24-14(23-12)21-6-22-24/h1-4,6,20H,5H2.
What are the key properties of 5-chloro-N-(3-fluoroprop-2-enyl)-6-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(3-fluoroprop-2-enyl)-6-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 357.70 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-fluoroprop-2-enyl)-6-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 173055503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).