N-(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)-1,1-diphenylmethanimine

C24H20FN5 — CID 164902941

IUPACN-(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)-1,1-diphenylmethanimine
SMILESCc1nc2n(n1)-c1ccc(F)c(N=C(c3ccccc3)c3ccccc3)c1N(C)C2
InChIInChI=1S/C24H20FN5/c1-16-26-21-15-29(2)24-20(30(21)28-16)14-13-19(25)23(24)27-22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14H,15H2,1-2H3
InChIKeyPTJQJYYBDULOGG-UHFFFAOYSA-N
MW397.46 g/mol
LogP4.83
Rot. Bonds3

About N-(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)-1,1-diphenylmethanimine

N-(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)-1,1-diphenylmethanimine (PubChem CID 164902941) has the molecular formula C24H20FN5 and a molecular weight of 397.46 g/mol. Its IUPAC name is N-(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)-1,1-diphenylmethanimine
PubChem CID164902941
Molecular FormulaC24H20FN5
Molecular Weight397.46 g/mol
Exact Mass397.17
IUPAC NameN-(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)-1,1-diphenylmethanimine
SMILESCc1nc2n(n1)-c1ccc(F)c(N=C(c3ccccc3)c3ccccc3)c1N(C)C2
InChIInChI=1S/C24H20FN5/c1-16-26-21-15-29(2)24-20(30(21)28-16)14-13-19(25)23(24)27-22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14H,15H2,1-2H3
InChIKeyPTJQJYYBDULOGG-UHFFFAOYSA-N
XLogP4.83
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)-1,1-diphenylmethanimine?
The IUPAC name of N-(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)-1,1-diphenylmethanimine (CID 164902941) is N-(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)-1,1-diphenylmethanimine.
What is the SMILES notation for N-(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)-1,1-diphenylmethanimine?
The canonical SMILES for N-(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)-1,1-diphenylmethanimine is Cc1nc2n(n1)-c1ccc(F)c(N=C(c3ccccc3)c3ccccc3)c1N(C)C2.
What is the InChIKey of N-(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)-1,1-diphenylmethanimine?
The InChIKey is PTJQJYYBDULOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5/c1-16-26-21-15-29(2)24-20(30(21)28-16)14-13-19(25)23(24)27-22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14H,15H2,1-2H3.
What are the key properties of N-(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)-1,1-diphenylmethanimine?
N-(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)-1,1-diphenylmethanimine has a molecular weight of 397.46 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)-1,1-diphenylmethanimine is sourced from PubChem (CID 164902941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).