5-amino-2-butylpyridazin-3-one

C8H13N3O — CID 103218271

IUPAC5-amino-2-butylpyridazin-3-one
SMILESCCCCn1ncc(N)cc1=O
InChIInChI=1S/C8H13N3O/c1-2-3-4-11-8(12)5-7(9)6-10-11/h5-6H,2-4,9H2,1H3
InChIKeyALRRWKCFRSGOCP-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.63
Rot. Bonds3

About 5-amino-2-butylpyridazin-3-one

5-amino-2-butylpyridazin-3-one (PubChem CID 103218271) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-amino-2-butylpyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-butylpyridazin-3-one
PubChem CID103218271
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-amino-2-butylpyridazin-3-one
SMILESCCCCn1ncc(N)cc1=O
InChIInChI=1S/C8H13N3O/c1-2-3-4-11-8(12)5-7(9)6-10-11/h5-6H,2-4,9H2,1H3
InChIKeyALRRWKCFRSGOCP-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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Related Compounds

5-Amino-2-methyl-2,3-dihydropyridazin-3-one
CID 10558626
5-(Pyrrolidin-1-yl)-2,3-dihydropyridazin-3-one
CID 28065109
2-n-Butyl-4-amino-3(2h)-pyridazinone
CID 129708522
5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)-3(2H)-pyridazinone
CID 28871573
2-Methyl-5-pyrrolidin-1-ylpyridazin-3-one
CID 101073859
5-(Dimethylamino)-3(2H)-pyridazinone
CID 13103624
5-Amino-2-propan-2-ylpyridazin-3-one
CID 20513821
5-(Ethylamino)-2,3-dihydropyridazin-3-one
CID 68165175
2-Chloro-5-(propylamino)pyridazin-3-one
CID 87370947
5-(Dimethylamino)-2-ethylpyridazin-3-one
CID 167137562
N-(1-methyl-6-oxopyridazin-4-yl)propanamide
CID 170387108
CID 170978856
CID 170978856

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-butylpyridazin-3-one?
The IUPAC name of 5-amino-2-butylpyridazin-3-one (CID 103218271) is 5-amino-2-butylpyridazin-3-one.
What is the SMILES notation for 5-amino-2-butylpyridazin-3-one?
The canonical SMILES for 5-amino-2-butylpyridazin-3-one is CCCCn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-butylpyridazin-3-one?
The InChIKey is ALRRWKCFRSGOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-3-4-11-8(12)5-7(9)6-10-11/h5-6H,2-4,9H2,1H3.
What are the key properties of 5-amino-2-butylpyridazin-3-one?
5-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 5-amino-2-butylpyridazin-3-one is sourced from PubChem (CID 103218271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).