5-amino-2-(3-methoxypropyl)pyridazin-3-one

C8H13N3O2 — CID 103218207

IUPAC5-amino-2-(3-methoxypropyl)pyridazin-3-one
SMILESCOCCCn1ncc(N)cc1=O
InChIInChI=1S/C8H13N3O2/c1-13-4-2-3-11-8(12)5-7(9)6-10-11/h5-6H,2-4,9H2,1H3
InChIKeyAAFPGRYUMAPQEV-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.14
Rot. Bonds4

About 5-amino-2-(3-methoxypropyl)pyridazin-3-one

5-amino-2-(3-methoxypropyl)pyridazin-3-one (PubChem CID 103218207) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-amino-2-(3-methoxypropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-(3-methoxypropyl)pyridazin-3-one
PubChem CID103218207
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name5-amino-2-(3-methoxypropyl)pyridazin-3-one
SMILESCOCCCn1ncc(N)cc1=O
InChIInChI=1S/C8H13N3O2/c1-13-4-2-3-11-8(12)5-7(9)6-10-11/h5-6H,2-4,9H2,1H3
InChIKeyAAFPGRYUMAPQEV-UHFFFAOYSA-N
XLogP-0.14
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(Methylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103218742
5-(Ethylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103219178
5-(Propan-2-ylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103219562
5-(Propylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103220334
5-(2-Methylpropylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103221686
5-Amino-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 113789668
5-Amino-2-propan-2-ylpyridazin-3-one
CID 20513821
5-Amino-2-(2-hydroxyethyl)pyridazin-3-one
CID 21449750
N-(1-methyl-6-oxopyridazin-4-yl)propanamide
CID 170387108
5-Amino-2-(4-hydroxybutyl)pyridazin-3-one
CID 10012594
3-[4-(dimethylamino)-6-oxo-1(6H)-pyridazinyl]propyl acetate
CID 28685385
5-Amino-2-hexylpyridazin-3-one
CID 103218167

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-methoxypropyl)pyridazin-3-one?
The IUPAC name of 5-amino-2-(3-methoxypropyl)pyridazin-3-one (CID 103218207) is 5-amino-2-(3-methoxypropyl)pyridazin-3-one.
What is the SMILES notation for 5-amino-2-(3-methoxypropyl)pyridazin-3-one?
The canonical SMILES for 5-amino-2-(3-methoxypropyl)pyridazin-3-one is COCCCn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-(3-methoxypropyl)pyridazin-3-one?
The InChIKey is AAFPGRYUMAPQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-13-4-2-3-11-8(12)5-7(9)6-10-11/h5-6H,2-4,9H2,1H3.
What are the key properties of 5-amino-2-(3-methoxypropyl)pyridazin-3-one?
5-amino-2-(3-methoxypropyl)pyridazin-3-one has a molecular weight of 183.21 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-methoxypropyl)pyridazin-3-one is sourced from PubChem (CID 103218207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).