6-amino-2-butylpyridazin-3-one

C8H13N3O — CID 82467417

IUPAC6-amino-2-butylpyridazin-3-one
SMILESCCCCn1nc(N)ccc1=O
InChIInChI=1S/C8H13N3O/c1-2-3-6-11-8(12)5-4-7(9)10-11/h4-5H,2-3,6H2,1H3,(H2,9,10)
InChIKeyGLLSFYORUGHDJD-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.63
Rot. Bonds3

About 6-amino-2-butylpyridazin-3-one

6-amino-2-butylpyridazin-3-one (PubChem CID 82467417) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 6-amino-2-butylpyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-butylpyridazin-3-one
PubChem CID82467417
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name6-amino-2-butylpyridazin-3-one
SMILESCCCCn1nc(N)ccc1=O
InChIInChI=1S/C8H13N3O/c1-2-3-6-11-8(12)5-4-7(9)10-11/h4-5H,2-3,6H2,1H3,(H2,9,10)
InChIKeyGLLSFYORUGHDJD-UHFFFAOYSA-N
XLogP0.63
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-butylpyridazin-3-one?
The IUPAC name of 6-amino-2-butylpyridazin-3-one (CID 82467417) is 6-amino-2-butylpyridazin-3-one.
What is the SMILES notation for 6-amino-2-butylpyridazin-3-one?
The canonical SMILES for 6-amino-2-butylpyridazin-3-one is CCCCn1nc(N)ccc1=O.
What is the InChIKey of 6-amino-2-butylpyridazin-3-one?
The InChIKey is GLLSFYORUGHDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-3-6-11-8(12)5-4-7(9)10-11/h4-5H,2-3,6H2,1H3,(H2,9,10).
What are the key properties of 6-amino-2-butylpyridazin-3-one?
6-amino-2-butylpyridazin-3-one has a molecular weight of 167.21 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-butylpyridazin-3-one is sourced from PubChem (CID 82467417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).