6-amino-2-butan-2-ylpyridazin-3-one;hydrochloride

C8H14ClN3O — CID 166653623

IUPAC6-amino-2-butan-2-ylpyridazin-3-one;hydrochloride
SMILESCCC(C)n1nc(N)ccc1=O.Cl
InChIInChI=1S/C8H13N3O.ClH/c1-3-6(2)11-8(12)5-4-7(9)10-11;/h4-6H,3H2,1-2H3,(H2,9,10);1H
InChIKeyPGCDZUIDVMNFHT-UHFFFAOYSA-N
MW203.67 g/mol
LogP1.22
Rot. Bonds2

About 6-amino-2-butan-2-ylpyridazin-3-one;hydrochloride

6-amino-2-butan-2-ylpyridazin-3-one;hydrochloride (PubChem CID 166653623) has the molecular formula C8H14ClN3O and a molecular weight of 203.67 g/mol. Its IUPAC name is 6-amino-2-butan-2-ylpyridazin-3-one;hydrochloride.

Molecular Properties

Compound Name6-amino-2-butan-2-ylpyridazin-3-one;hydrochloride
PubChem CID166653623
Molecular FormulaC8H14ClN3O
Molecular Weight203.67 g/mol
Exact Mass203.08
IUPAC Name6-amino-2-butan-2-ylpyridazin-3-one;hydrochloride
SMILESCCC(C)n1nc(N)ccc1=O.Cl
InChIInChI=1S/C8H13N3O.ClH/c1-3-6(2)11-8(12)5-4-7(9)10-11;/h4-6H,3H2,1-2H3,(H2,9,10);1H
InChIKeyPGCDZUIDVMNFHT-UHFFFAOYSA-N
XLogP1.22
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-butan-2-ylpyridazin-3-one;hydrochloride?
The IUPAC name of 6-amino-2-butan-2-ylpyridazin-3-one;hydrochloride (CID 166653623) is 6-amino-2-butan-2-ylpyridazin-3-one;hydrochloride.
What is the SMILES notation for 6-amino-2-butan-2-ylpyridazin-3-one;hydrochloride?
The canonical SMILES for 6-amino-2-butan-2-ylpyridazin-3-one;hydrochloride is CCC(C)n1nc(N)ccc1=O.Cl.
What is the InChIKey of 6-amino-2-butan-2-ylpyridazin-3-one;hydrochloride?
The InChIKey is PGCDZUIDVMNFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.ClH/c1-3-6(2)11-8(12)5-4-7(9)10-11;/h4-6H,3H2,1-2H3,(H2,9,10);1H.
What are the key properties of 6-amino-2-butan-2-ylpyridazin-3-one;hydrochloride?
6-amino-2-butan-2-ylpyridazin-3-one;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-butan-2-ylpyridazin-3-one;hydrochloride is sourced from PubChem (CID 166653623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).