2-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-methoxypyridazin-3-one

C11H17N3O2 — CID 105061513

IUPAC2-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC2(CCN)CC2)n1
InChIInChI=1S/C11H17N3O2/c1-16-9-2-3-10(15)14(13-9)8-11(4-5-11)6-7-12/h2-3H,4-8,12H2,1H3
InChIKeyFIZVYNWRNFJUQW-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.38
Rot. Bonds5

About 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-methoxypyridazin-3-one

2-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-methoxypyridazin-3-one (PubChem CID 105061513) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-methoxypyridazin-3-one
PubChem CID105061513
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC2(CCN)CC2)n1
InChIInChI=1S/C11H17N3O2/c1-16-9-2-3-10(15)14(13-9)8-11(4-5-11)6-7-12/h2-3H,4-8,12H2,1H3
InChIKeyFIZVYNWRNFJUQW-UHFFFAOYSA-N
XLogP0.38
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-methoxypyridazin-3-one (CID 105061513) is 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-methoxypyridazin-3-one is COc1ccc(=O)n(CC2(CCN)CC2)n1.
What is the InChIKey of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-methoxypyridazin-3-one?
The InChIKey is FIZVYNWRNFJUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-16-9-2-3-10(15)14(13-9)8-11(4-5-11)6-7-12/h2-3H,4-8,12H2,1H3.
What are the key properties of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-methoxypyridazin-3-one?
2-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-methoxypyridazin-3-one has a molecular weight of 223.28 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).