6-[(1-amino-2,3-dihydro-1H-inden-2-yl)oxy]-2-methylpyridazin-3-one

C14H15N3O2 — CID 126954659

IUPAC6-[(1-amino-2,3-dihydro-1H-inden-2-yl)oxy]-2-methylpyridazin-3-one
SMILESCn1nc(OC2Cc3ccccc3C2N)ccc1=O
InChIInChI=1S/C14H15N3O2/c1-17-13(18)7-6-12(16-17)19-11-8-9-4-2-3-5-10(9)14(11)15/h2-7,11,14H,8,15H2,1H3
InChIKeyNUSXKEQNNONUNY-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.78
Rot. Bonds2

About 6-[(1-amino-2,3-dihydro-1H-inden-2-yl)oxy]-2-methylpyridazin-3-one

6-[(1-amino-2,3-dihydro-1H-inden-2-yl)oxy]-2-methylpyridazin-3-one (PubChem CID 126954659) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-[(1-amino-2,3-dihydro-1H-inden-2-yl)oxy]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[(1-amino-2,3-dihydro-1H-inden-2-yl)oxy]-2-methylpyridazin-3-one
PubChem CID126954659
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name6-[(1-amino-2,3-dihydro-1H-inden-2-yl)oxy]-2-methylpyridazin-3-one
SMILESCn1nc(OC2Cc3ccccc3C2N)ccc1=O
InChIInChI=1S/C14H15N3O2/c1-17-13(18)7-6-12(16-17)19-11-8-9-4-2-3-5-10(9)14(11)15/h2-7,11,14H,8,15H2,1H3
InChIKeyNUSXKEQNNONUNY-UHFFFAOYSA-N
XLogP0.78
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-amino-2,3-dihydro-1H-inden-2-yl)oxy]-2-methylpyridazin-3-one?
The IUPAC name of 6-[(1-amino-2,3-dihydro-1H-inden-2-yl)oxy]-2-methylpyridazin-3-one (CID 126954659) is 6-[(1-amino-2,3-dihydro-1H-inden-2-yl)oxy]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[(1-amino-2,3-dihydro-1H-inden-2-yl)oxy]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[(1-amino-2,3-dihydro-1H-inden-2-yl)oxy]-2-methylpyridazin-3-one is Cn1nc(OC2Cc3ccccc3C2N)ccc1=O.
What is the InChIKey of 6-[(1-amino-2,3-dihydro-1H-inden-2-yl)oxy]-2-methylpyridazin-3-one?
The InChIKey is NUSXKEQNNONUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-17-13(18)7-6-12(16-17)19-11-8-9-4-2-3-5-10(9)14(11)15/h2-7,11,14H,8,15H2,1H3.
What are the key properties of 6-[(1-amino-2,3-dihydro-1H-inden-2-yl)oxy]-2-methylpyridazin-3-one?
6-[(1-amino-2,3-dihydro-1H-inden-2-yl)oxy]-2-methylpyridazin-3-one has a molecular weight of 257.29 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-amino-2,3-dihydro-1H-inden-2-yl)oxy]-2-methylpyridazin-3-one is sourced from PubChem (CID 126954659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).