1-[5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1-propylhydrazine

C14H12ClF3N6 — CID 58819889

IUPAC1-[5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1-propylhydrazine
SMILESCCCN(N)c1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12
InChIInChI=1S/C14H12ClF3N6/c1-2-3-23(19)13-11(10-8(17)4-7(16)5-9(10)18)12(15)22-14-20-6-21-24(13)14/h4-6H,2-3,19H2,1H3
InChIKeyZPHUYYFCIYJCRS-UHFFFAOYSA-N
MW356.74 g/mol
LogP2.95
Rot. Bonds4

About 1-[5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1-propylhydrazine

1-[5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1-propylhydrazine (PubChem CID 58819889) has the molecular formula C14H12ClF3N6 and a molecular weight of 356.74 g/mol. Its IUPAC name is 1-[5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1-propylhydrazine.

Molecular Properties

Compound Name1-[5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1-propylhydrazine
PubChem CID58819889
Molecular FormulaC14H12ClF3N6
Molecular Weight356.74 g/mol
Exact Mass356.08
IUPAC Name1-[5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1-propylhydrazine
SMILESCCCN(N)c1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12
InChIInChI=1S/C14H12ClF3N6/c1-2-3-23(19)13-11(10-8(17)4-7(16)5-9(10)18)12(15)22-14-20-6-21-24(13)14/h4-6H,2-3,19H2,1H3
InChIKeyZPHUYYFCIYJCRS-UHFFFAOYSA-N
XLogP2.95
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.74
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1-propylhydrazine?
The IUPAC name of 1-[5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1-propylhydrazine (CID 58819889) is 1-[5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1-propylhydrazine.
What is the SMILES notation for 1-[5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1-propylhydrazine?
The canonical SMILES for 1-[5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1-propylhydrazine is CCCN(N)c1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12.
What is the InChIKey of 1-[5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1-propylhydrazine?
The InChIKey is ZPHUYYFCIYJCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N6/c1-2-3-23(19)13-11(10-8(17)4-7(16)5-9(10)18)12(15)22-14-20-6-21-24(13)14/h4-6H,2-3,19H2,1H3.
What are the key properties of 1-[5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1-propylhydrazine?
1-[5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1-propylhydrazine has a molecular weight of 356.74 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1-propylhydrazine is sourced from PubChem (CID 58819889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).