2-[(2S)-2-aminopropyl]-6-methoxypyridazin-3-one

C8H13N3O2 — CID 105061680

IUPAC2-[(2S)-2-aminopropyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(C[C@H](C)N)n1
InChIInChI=1S/C8H13N3O2/c1-6(9)5-11-8(12)4-3-7(10-11)13-2/h3-4,6H,5,9H2,1-2H3/t6-/m0/s1
InChIKeyKFCXGFLSNTYSFG-LURJTMIESA-N
MW183.21 g/mol
LogP-0.40
Rot. Bonds3

About 2-[(2S)-2-aminopropyl]-6-methoxypyridazin-3-one

2-[(2S)-2-aminopropyl]-6-methoxypyridazin-3-one (PubChem CID 105061680) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-[(2S)-2-aminopropyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[(2S)-2-aminopropyl]-6-methoxypyridazin-3-one
PubChem CID105061680
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-[(2S)-2-aminopropyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(C[C@H](C)N)n1
InChIInChI=1S/C8H13N3O2/c1-6(9)5-11-8(12)4-3-7(10-11)13-2/h3-4,6H,5,9H2,1-2H3/t6-/m0/s1
InChIKeyKFCXGFLSNTYSFG-LURJTMIESA-N
XLogP-0.40
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-aminopropyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[(2S)-2-aminopropyl]-6-methoxypyridazin-3-one (CID 105061680) is 2-[(2S)-2-aminopropyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[(2S)-2-aminopropyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[(2S)-2-aminopropyl]-6-methoxypyridazin-3-one is COc1ccc(=O)n(C[C@H](C)N)n1.
What is the InChIKey of 2-[(2S)-2-aminopropyl]-6-methoxypyridazin-3-one?
The InChIKey is KFCXGFLSNTYSFG-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(9)5-11-8(12)4-3-7(10-11)13-2/h3-4,6H,5,9H2,1-2H3/t6-/m0/s1.
What are the key properties of 2-[(2S)-2-aminopropyl]-6-methoxypyridazin-3-one?
2-[(2S)-2-aminopropyl]-6-methoxypyridazin-3-one has a molecular weight of 183.21 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-aminopropyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).