2-[2-(1-cyclopropylethylamino)ethyl]-6-methoxypyridazin-3-one

C12H19N3O2 — CID 105062157

IUPAC2-[2-(1-cyclopropylethylamino)ethyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCNC(C)C2CC2)n1
InChIInChI=1S/C12H19N3O2/c1-9(10-3-4-10)13-7-8-15-12(16)6-5-11(14-15)17-2/h5-6,9-10,13H,3-4,7-8H2,1-2H3
InChIKeyPPPIZQHYGFMFSI-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.64
Rot. Bonds6

About 2-[2-(1-cyclopropylethylamino)ethyl]-6-methoxypyridazin-3-one

2-[2-(1-cyclopropylethylamino)ethyl]-6-methoxypyridazin-3-one (PubChem CID 105062157) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[2-(1-cyclopropylethylamino)ethyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[2-(1-cyclopropylethylamino)ethyl]-6-methoxypyridazin-3-one
PubChem CID105062157
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[2-(1-cyclopropylethylamino)ethyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCNC(C)C2CC2)n1
InChIInChI=1S/C12H19N3O2/c1-9(10-3-4-10)13-7-8-15-12(16)6-5-11(14-15)17-2/h5-6,9-10,13H,3-4,7-8H2,1-2H3
InChIKeyPPPIZQHYGFMFSI-UHFFFAOYSA-N
XLogP0.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-cyclopropylethylamino)ethyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[2-(1-cyclopropylethylamino)ethyl]-6-methoxypyridazin-3-one (CID 105062157) is 2-[2-(1-cyclopropylethylamino)ethyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[2-(1-cyclopropylethylamino)ethyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[2-(1-cyclopropylethylamino)ethyl]-6-methoxypyridazin-3-one is COc1ccc(=O)n(CCNC(C)C2CC2)n1.
What is the InChIKey of 2-[2-(1-cyclopropylethylamino)ethyl]-6-methoxypyridazin-3-one?
The InChIKey is PPPIZQHYGFMFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(10-3-4-10)13-7-8-15-12(16)6-5-11(14-15)17-2/h5-6,9-10,13H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[2-(1-cyclopropylethylamino)ethyl]-6-methoxypyridazin-3-one?
2-[2-(1-cyclopropylethylamino)ethyl]-6-methoxypyridazin-3-one has a molecular weight of 237.30 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-cyclopropylethylamino)ethyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 105062157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).