7-ethyl-8-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine

C19H15FN6O2 — CID 17172564

IUPAC7-ethyl-8-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
SMILESCCc1nn2c(N)c(-c3ccc([N+](=O)[O-])cc3)nnc2c1-c1ccc(F)cc1
InChIInChI=1S/C19H15FN6O2/c1-2-15-16(11-3-7-13(20)8-4-11)19-23-22-17(18(21)25(19)24-15)12-5-9-14(10-6-12)26(27)28/h3-10H,2,21H2,1H3
InChIKeyNZNZKPGXILQDSD-UHFFFAOYSA-N
MW378.37 g/mol
LogP3.65
Rot. Bonds4

About 7-ethyl-8-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine

7-ethyl-8-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine (PubChem CID 17172564) has the molecular formula C19H15FN6O2 and a molecular weight of 378.37 g/mol. Its IUPAC name is 7-ethyl-8-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-ethyl-8-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
PubChem CID17172564
Molecular FormulaC19H15FN6O2
Molecular Weight378.37 g/mol
Exact Mass378.12
IUPAC Name7-ethyl-8-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
SMILESCCc1nn2c(N)c(-c3ccc([N+](=O)[O-])cc3)nnc2c1-c1ccc(F)cc1
InChIInChI=1S/C19H15FN6O2/c1-2-15-16(11-3-7-13(20)8-4-11)19-23-22-17(18(21)25(19)24-15)12-5-9-14(10-6-12)26(27)28/h3-10H,2,21H2,1H3
InChIKeyNZNZKPGXILQDSD-UHFFFAOYSA-N
XLogP3.65
TPSA112.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 7-ethyl-8-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
The IUPAC name of 7-ethyl-8-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine (CID 17172564) is 7-ethyl-8-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-ethyl-8-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
The canonical SMILES for 7-ethyl-8-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine is CCc1nn2c(N)c(-c3ccc([N+](=O)[O-])cc3)nnc2c1-c1ccc(F)cc1.
What is the InChIKey of 7-ethyl-8-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
The InChIKey is NZNZKPGXILQDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O2/c1-2-15-16(11-3-7-13(20)8-4-11)19-23-22-17(18(21)25(19)24-15)12-5-9-14(10-6-12)26(27)28/h3-10H,2,21H2,1H3.
What are the key properties of 7-ethyl-8-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine?
7-ethyl-8-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine has a molecular weight of 378.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine is sourced from PubChem (CID 17172564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).