6-[5-amino-6-(furan-2-yl)-3-phenylpyrazin-2-yl]-2-methylpyridazin-3-one

C19H15N5O2 — CID 69331914

IUPAC6-[5-amino-6-(furan-2-yl)-3-phenylpyrazin-2-yl]-2-methylpyridazin-3-one
SMILESCn1nc(-c2nc(-c3ccco3)c(N)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C19H15N5O2/c1-24-15(25)10-9-13(23-24)17-16(12-6-3-2-4-7-12)22-19(20)18(21-17)14-8-5-11-26-14/h2-11H,1H3,(H2,20,22)
InChIKeyZCCBVGLZGXPVBA-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.75
Rot. Bonds3

About 6-[5-amino-6-(furan-2-yl)-3-phenylpyrazin-2-yl]-2-methylpyridazin-3-one

6-[5-amino-6-(furan-2-yl)-3-phenylpyrazin-2-yl]-2-methylpyridazin-3-one (PubChem CID 69331914) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 6-[5-amino-6-(furan-2-yl)-3-phenylpyrazin-2-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[5-amino-6-(furan-2-yl)-3-phenylpyrazin-2-yl]-2-methylpyridazin-3-one
PubChem CID69331914
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name6-[5-amino-6-(furan-2-yl)-3-phenylpyrazin-2-yl]-2-methylpyridazin-3-one
SMILESCn1nc(-c2nc(-c3ccco3)c(N)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C19H15N5O2/c1-24-15(25)10-9-13(23-24)17-16(12-6-3-2-4-7-12)22-19(20)18(21-17)14-8-5-11-26-14/h2-11H,1H3,(H2,20,22)
InChIKeyZCCBVGLZGXPVBA-UHFFFAOYSA-N
XLogP2.75
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-amino-6-(furan-2-yl)-3-phenylpyrazin-2-yl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[5-amino-6-(furan-2-yl)-3-phenylpyrazin-2-yl]-2-methylpyridazin-3-one (CID 69331914) is 6-[5-amino-6-(furan-2-yl)-3-phenylpyrazin-2-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[5-amino-6-(furan-2-yl)-3-phenylpyrazin-2-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[5-amino-6-(furan-2-yl)-3-phenylpyrazin-2-yl]-2-methylpyridazin-3-one is Cn1nc(-c2nc(-c3ccco3)c(N)nc2-c2ccccc2)ccc1=O.
What is the InChIKey of 6-[5-amino-6-(furan-2-yl)-3-phenylpyrazin-2-yl]-2-methylpyridazin-3-one?
The InChIKey is ZCCBVGLZGXPVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-24-15(25)10-9-13(23-24)17-16(12-6-3-2-4-7-12)22-19(20)18(21-17)14-8-5-11-26-14/h2-11H,1H3,(H2,20,22).
What are the key properties of 6-[5-amino-6-(furan-2-yl)-3-phenylpyrazin-2-yl]-2-methylpyridazin-3-one?
6-[5-amino-6-(furan-2-yl)-3-phenylpyrazin-2-yl]-2-methylpyridazin-3-one has a molecular weight of 345.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-amino-6-(furan-2-yl)-3-phenylpyrazin-2-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 69331914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).