5-amino-2-tert-butyl-4-methylpyridazin-3-one

C9H15N3O — CID 19081366

IUPAC5-amino-2-tert-butyl-4-methylpyridazin-3-one
SMILESCc1c(N)cnn(C(C)(C)C)c1=O
InChIInChI=1S/C9H15N3O/c1-6-7(10)5-11-12(8(6)13)9(2,3)4/h5H,10H2,1-4H3
InChIKeyKJZBNWQZTFUBII-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.89
Rot. Bonds

About 5-amino-2-tert-butyl-4-methylpyridazin-3-one

5-amino-2-tert-butyl-4-methylpyridazin-3-one (PubChem CID 19081366) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-amino-2-tert-butyl-4-methylpyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-tert-butyl-4-methylpyridazin-3-one
PubChem CID19081366
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-amino-2-tert-butyl-4-methylpyridazin-3-one
SMILESCc1c(N)cnn(C(C)(C)C)c1=O
InChIInChI=1S/C9H15N3O/c1-6-7(10)5-11-12(8(6)13)9(2,3)4/h5H,10H2,1-4H3
InChIKeyKJZBNWQZTFUBII-UHFFFAOYSA-N
XLogP0.89
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-tert-butyl-4-methylpyridazin-3-one?
The IUPAC name of 5-amino-2-tert-butyl-4-methylpyridazin-3-one (CID 19081366) is 5-amino-2-tert-butyl-4-methylpyridazin-3-one.
What is the SMILES notation for 5-amino-2-tert-butyl-4-methylpyridazin-3-one?
The canonical SMILES for 5-amino-2-tert-butyl-4-methylpyridazin-3-one is Cc1c(N)cnn(C(C)(C)C)c1=O.
What is the InChIKey of 5-amino-2-tert-butyl-4-methylpyridazin-3-one?
The InChIKey is KJZBNWQZTFUBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-7(10)5-11-12(8(6)13)9(2,3)4/h5H,10H2,1-4H3.
What are the key properties of 5-amino-2-tert-butyl-4-methylpyridazin-3-one?
5-amino-2-tert-butyl-4-methylpyridazin-3-one has a molecular weight of 181.24 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-tert-butyl-4-methylpyridazin-3-one is sourced from PubChem (CID 19081366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).