4-amino-6-(furan-2-yl)-3-phenyl-1,2,4-triazin-5-one

C13H10N4O2 — CID 22757923

IUPAC4-amino-6-(furan-2-yl)-3-phenyl-1,2,4-triazin-5-one
SMILESNn1c(-c2ccccc2)nnc(-c2ccco2)c1=O
InChIInChI=1S/C13H10N4O2/c14-17-12(9-5-2-1-3-6-9)16-15-11(13(17)18)10-7-4-8-19-10/h1-8H,14H2
InChIKeyRGQIDZKWQXAOTP-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.28
Rot. Bonds2

About 4-amino-6-(furan-2-yl)-3-phenyl-1,2,4-triazin-5-one

4-amino-6-(furan-2-yl)-3-phenyl-1,2,4-triazin-5-one (PubChem CID 22757923) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-amino-6-(furan-2-yl)-3-phenyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-6-(furan-2-yl)-3-phenyl-1,2,4-triazin-5-one
PubChem CID22757923
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name4-amino-6-(furan-2-yl)-3-phenyl-1,2,4-triazin-5-one
SMILESNn1c(-c2ccccc2)nnc(-c2ccco2)c1=O
InChIInChI=1S/C13H10N4O2/c14-17-12(9-5-2-1-3-6-9)16-15-11(13(17)18)10-7-4-8-19-10/h1-8H,14H2
InChIKeyRGQIDZKWQXAOTP-UHFFFAOYSA-N
XLogP1.28
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(furan-2-yl)-3-phenyl-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-6-(furan-2-yl)-3-phenyl-1,2,4-triazin-5-one (CID 22757923) is 4-amino-6-(furan-2-yl)-3-phenyl-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-6-(furan-2-yl)-3-phenyl-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-6-(furan-2-yl)-3-phenyl-1,2,4-triazin-5-one is Nn1c(-c2ccccc2)nnc(-c2ccco2)c1=O.
What is the InChIKey of 4-amino-6-(furan-2-yl)-3-phenyl-1,2,4-triazin-5-one?
The InChIKey is RGQIDZKWQXAOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c14-17-12(9-5-2-1-3-6-9)16-15-11(13(17)18)10-7-4-8-19-10/h1-8H,14H2.
What are the key properties of 4-amino-6-(furan-2-yl)-3-phenyl-1,2,4-triazin-5-one?
4-amino-6-(furan-2-yl)-3-phenyl-1,2,4-triazin-5-one has a molecular weight of 254.25 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(furan-2-yl)-3-phenyl-1,2,4-triazin-5-one is sourced from PubChem (CID 22757923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).