6-amino-2-propan-2-ylpyridazin-3-one

C7H11N3O — CID 19739720

IUPAC6-amino-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(N)ccc1=O
InChIInChI=1S/C7H11N3O/c1-5(2)10-7(11)4-3-6(8)9-10/h3-5H,1-2H3,(H2,8,9)
InChIKeyKPYXWNJVJJPLSZ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.41
Rot. Bonds1

About 6-amino-2-propan-2-ylpyridazin-3-one

6-amino-2-propan-2-ylpyridazin-3-one (PubChem CID 19739720) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 6-amino-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-propan-2-ylpyridazin-3-one
PubChem CID19739720
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name6-amino-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(N)ccc1=O
InChIInChI=1S/C7H11N3O/c1-5(2)10-7(11)4-3-6(8)9-10/h3-5H,1-2H3,(H2,8,9)
InChIKeyKPYXWNJVJJPLSZ-UHFFFAOYSA-N
XLogP0.41
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-amino-2-propan-2-ylpyridazin-3-one (CID 19739720) is 6-amino-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-amino-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-amino-2-propan-2-ylpyridazin-3-one is CC(C)n1nc(N)ccc1=O.
What is the InChIKey of 6-amino-2-propan-2-ylpyridazin-3-one?
The InChIKey is KPYXWNJVJJPLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5(2)10-7(11)4-3-6(8)9-10/h3-5H,1-2H3,(H2,8,9).
What are the key properties of 6-amino-2-propan-2-ylpyridazin-3-one?
6-amino-2-propan-2-ylpyridazin-3-one has a molecular weight of 153.18 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 19739720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).