8-amino-6-(4-aminophenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C17H14N6O — CID 155559636

IUPAC8-amino-6-(4-aminophenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESNc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1
InChIInChI=1S/C17H14N6O/c18-12-8-6-11(7-9-12)14-10-22-16(15(19)20-14)21-23(17(22)24)13-4-2-1-3-5-13/h1-10H,18H2,(H2,19,20)
InChIKeyUSBWTMHHGYJVJX-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.71
Rot. Bonds2

About 8-amino-6-(4-aminophenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one

8-amino-6-(4-aminophenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 155559636) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 8-amino-6-(4-aminophenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name8-amino-6-(4-aminophenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID155559636
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name8-amino-6-(4-aminophenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESNc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1
InChIInChI=1S/C17H14N6O/c18-12-8-6-11(7-9-12)14-10-22-16(15(19)20-14)21-23(17(22)24)13-4-2-1-3-5-13/h1-10H,18H2,(H2,19,20)
InChIKeyUSBWTMHHGYJVJX-UHFFFAOYSA-N
XLogP1.71
TPSA104.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6-(4-aminophenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 8-amino-6-(4-aminophenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 155559636) is 8-amino-6-(4-aminophenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 8-amino-6-(4-aminophenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 8-amino-6-(4-aminophenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one is Nc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1.
What is the InChIKey of 8-amino-6-(4-aminophenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is USBWTMHHGYJVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c18-12-8-6-11(7-9-12)14-10-22-16(15(19)20-14)21-23(17(22)24)13-4-2-1-3-5-13/h1-10H,18H2,(H2,19,20).
What are the key properties of 8-amino-6-(4-aminophenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
8-amino-6-(4-aminophenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 318.34 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-(4-aminophenyl)-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 155559636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).