N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C16H12FN5 — CID 5295768

IUPACN-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESFc1ccc(CNc2nc3ccccc3n3cnnc23)cc1
InChIInChI=1S/C16H12FN5/c17-12-7-5-11(6-8-12)9-18-15-16-21-19-10-22(16)14-4-2-1-3-13(14)20-15/h1-8,10H,9H2,(H,18,20)
InChIKeyUGVXQCIYGHAKGA-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.03
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 5295768) has the molecular formula C16H12FN5 and a molecular weight of 293.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID5295768
Molecular FormulaC16H12FN5
Molecular Weight293.31 g/mol
Exact Mass293.11
IUPAC NameN-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESFc1ccc(CNc2nc3ccccc3n3cnnc23)cc1
InChIInChI=1S/C16H12FN5/c17-12-7-5-11(6-8-12)9-18-15-16-21-19-10-22(16)14-4-2-1-3-13(14)20-15/h1-8,10H,9H2,(H,18,20)
InChIKeyUGVXQCIYGHAKGA-UHFFFAOYSA-N
XLogP3.03
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 5295768) is N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is Fc1ccc(CNc2nc3ccccc3n3cnnc23)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is UGVXQCIYGHAKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5/c17-12-7-5-11(6-8-12)9-18-15-16-21-19-10-22(16)14-4-2-1-3-13(14)20-15/h1-8,10H,9H2,(H,18,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 293.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 5295768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).