N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine

C19H13FN6 — CID 59587678

IUPACN-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine
SMILESFc1ccccc1Nc1nc2c(-c3ncn[nH]3)cccc2n2cccc12
InChIInChI=1S/C19H13FN6/c20-13-6-1-2-7-14(13)23-19-16-9-4-10-26(16)15-8-3-5-12(17(15)24-19)18-21-11-22-25-18/h1-11H,(H,23,24)(H,21,22,25)
InChIKeyCPFUAFFNZAQNIL-UHFFFAOYSA-N
MW344.35 g/mol
LogP4.16
Rot. Bonds3

About N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine

N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine (PubChem CID 59587678) has the molecular formula C19H13FN6 and a molecular weight of 344.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine
PubChem CID59587678
Molecular FormulaC19H13FN6
Molecular Weight344.35 g/mol
Exact Mass344.12
IUPAC NameN-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine
SMILESFc1ccccc1Nc1nc2c(-c3ncn[nH]3)cccc2n2cccc12
InChIInChI=1S/C19H13FN6/c20-13-6-1-2-7-14(13)23-19-16-9-4-10-26(16)15-8-3-5-12(17(15)24-19)18-21-11-22-25-18/h1-11H,(H,23,24)(H,21,22,25)
InChIKeyCPFUAFFNZAQNIL-UHFFFAOYSA-N
XLogP4.16
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine?
The IUPAC name of N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine (CID 59587678) is N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine.
What is the SMILES notation for N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine?
The canonical SMILES for N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine is Fc1ccccc1Nc1nc2c(-c3ncn[nH]3)cccc2n2cccc12.
What is the InChIKey of N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine?
The InChIKey is CPFUAFFNZAQNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN6/c20-13-6-1-2-7-14(13)23-19-16-9-4-10-26(16)15-8-3-5-12(17(15)24-19)18-21-11-22-25-18/h1-11H,(H,23,24)(H,21,22,25).
What are the key properties of N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine?
N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine has a molecular weight of 344.35 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine is sourced from PubChem (CID 59587678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).