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

C19H14N6 — CID 59587708

IUPACN-phenyl-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine
SMILESc1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3n3cccc23)cc1
InChIInChI=1S/C19H14N6/c1-2-6-13(7-3-1)22-19-16-10-5-11-25(16)15-9-4-8-14(17(15)23-19)18-20-12-21-24-18/h1-12H,(H,22,23)(H,20,21,24)
InChIKeyULDSFJCLLURBJV-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.02
Rot. Bonds3

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

N-phenyl-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine (PubChem CID 59587708) has the molecular formula C19H14N6 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-phenyl-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-phenyl-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine
PubChem CID59587708
Molecular FormulaC19H14N6
Molecular Weight326.36 g/mol
Exact Mass326.13
IUPAC NameN-phenyl-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine
SMILESc1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3n3cccc23)cc1
InChIInChI=1S/C19H14N6/c1-2-6-13(7-3-1)22-19-16-10-5-11-25(16)15-9-4-8-14(17(15)23-19)18-20-12-21-24-18/h1-12H,(H,22,23)(H,20,21,24)
InChIKeyULDSFJCLLURBJV-UHFFFAOYSA-N
XLogP4.02
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine?
The IUPAC name of N-phenyl-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine (CID 59587708) is N-phenyl-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine.
What is the SMILES notation for N-phenyl-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine?
The canonical SMILES for N-phenyl-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine is c1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3n3cccc23)cc1.
What is the InChIKey of N-phenyl-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine?
The InChIKey is ULDSFJCLLURBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6/c1-2-6-13(7-3-1)22-19-16-10-5-11-25(16)15-9-4-8-14(17(15)23-19)18-20-12-21-24-18/h1-12H,(H,22,23)(H,20,21,24).
What are the key properties of N-phenyl-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine?
N-phenyl-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine has a molecular weight of 326.36 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-(1H-1,2,4-triazol-5-yl)pyrrolo[1,2-a]quinoxalin-4-amine is sourced from PubChem (CID 59587708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).