5-(6-aminopyridazin-3-yl)-1,3,3-trimethylindol-2-one

C15H16N4O — CID 82487605

IUPAC5-(6-aminopyridazin-3-yl)-1,3,3-trimethylindol-2-one
SMILESCN1C(=O)C(C)(C)c2cc(-c3ccc(N)nn3)ccc21
InChIInChI=1S/C15H16N4O/c1-15(2)10-8-9(11-5-7-13(16)18-17-11)4-6-12(10)19(3)14(15)20/h4-8H,1-3H3,(H2,16,18)
InChIKeySIKHMUHNIRQVJH-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.98
Rot. Bonds1

About 5-(6-aminopyridazin-3-yl)-1,3,3-trimethylindol-2-one

5-(6-aminopyridazin-3-yl)-1,3,3-trimethylindol-2-one (PubChem CID 82487605) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-(6-aminopyridazin-3-yl)-1,3,3-trimethylindol-2-one.

Molecular Properties

Compound Name5-(6-aminopyridazin-3-yl)-1,3,3-trimethylindol-2-one
PubChem CID82487605
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-(6-aminopyridazin-3-yl)-1,3,3-trimethylindol-2-one
SMILESCN1C(=O)C(C)(C)c2cc(-c3ccc(N)nn3)ccc21
InChIInChI=1S/C15H16N4O/c1-15(2)10-8-9(11-5-7-13(16)18-17-11)4-6-12(10)19(3)14(15)20/h4-8H,1-3H3,(H2,16,18)
InChIKeySIKHMUHNIRQVJH-UHFFFAOYSA-N
XLogP1.98
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-aminopyridazin-3-yl)-1,3,3-trimethylindol-2-one?
The IUPAC name of 5-(6-aminopyridazin-3-yl)-1,3,3-trimethylindol-2-one (CID 82487605) is 5-(6-aminopyridazin-3-yl)-1,3,3-trimethylindol-2-one.
What is the SMILES notation for 5-(6-aminopyridazin-3-yl)-1,3,3-trimethylindol-2-one?
The canonical SMILES for 5-(6-aminopyridazin-3-yl)-1,3,3-trimethylindol-2-one is CN1C(=O)C(C)(C)c2cc(-c3ccc(N)nn3)ccc21.
What is the InChIKey of 5-(6-aminopyridazin-3-yl)-1,3,3-trimethylindol-2-one?
The InChIKey is SIKHMUHNIRQVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-15(2)10-8-9(11-5-7-13(16)18-17-11)4-6-12(10)19(3)14(15)20/h4-8H,1-3H3,(H2,16,18).
What are the key properties of 5-(6-aminopyridazin-3-yl)-1,3,3-trimethylindol-2-one?
5-(6-aminopyridazin-3-yl)-1,3,3-trimethylindol-2-one has a molecular weight of 268.32 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-aminopyridazin-3-yl)-1,3,3-trimethylindol-2-one is sourced from PubChem (CID 82487605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).