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

C12H19N3O2 — CID 103221772

IUPAC5-(cyclopropylmethylamino)-2-(3-methoxypropyl)pyridazin-3-one
SMILESCOCCCn1ncc(NCC2CC2)cc1=O
InChIInChI=1S/C12H19N3O2/c1-17-6-2-5-15-12(16)7-11(9-14-15)13-8-10-3-4-10/h7,9-10,13H,2-6,8H2,1H3
InChIKeyHKOVJYJQPSVLHD-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.10
Rot. Bonds7

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

5-(cyclopropylmethylamino)-2-(3-methoxypropyl)pyridazin-3-one (PubChem CID 103221772) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-(cyclopropylmethylamino)-2-(3-methoxypropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclopropylmethylamino)-2-(3-methoxypropyl)pyridazin-3-one
PubChem CID103221772
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-(cyclopropylmethylamino)-2-(3-methoxypropyl)pyridazin-3-one
SMILESCOCCCn1ncc(NCC2CC2)cc1=O
InChIInChI=1S/C12H19N3O2/c1-17-6-2-5-15-12(16)7-11(9-14-15)13-8-10-3-4-10/h7,9-10,13H,2-6,8H2,1H3
InChIKeyHKOVJYJQPSVLHD-UHFFFAOYSA-N
XLogP1.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.10
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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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethylamino)-2-(3-methoxypropyl)pyridazin-3-one?
The IUPAC name of 5-(cyclopropylmethylamino)-2-(3-methoxypropyl)pyridazin-3-one (CID 103221772) is 5-(cyclopropylmethylamino)-2-(3-methoxypropyl)pyridazin-3-one.
What is the SMILES notation for 5-(cyclopropylmethylamino)-2-(3-methoxypropyl)pyridazin-3-one?
The canonical SMILES for 5-(cyclopropylmethylamino)-2-(3-methoxypropyl)pyridazin-3-one is COCCCn1ncc(NCC2CC2)cc1=O.
What is the InChIKey of 5-(cyclopropylmethylamino)-2-(3-methoxypropyl)pyridazin-3-one?
The InChIKey is HKOVJYJQPSVLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-17-6-2-5-15-12(16)7-11(9-14-15)13-8-10-3-4-10/h7,9-10,13H,2-6,8H2,1H3.
What are the key properties of 5-(cyclopropylmethylamino)-2-(3-methoxypropyl)pyridazin-3-one?
5-(cyclopropylmethylamino)-2-(3-methoxypropyl)pyridazin-3-one has a molecular weight of 237.30 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethylamino)-2-(3-methoxypropyl)pyridazin-3-one is sourced from PubChem (CID 103221772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).