2-(3-aminopropyl)-6-methoxypyridazin-3-one

C8H13N3O2 — CID 105061504

IUPAC2-(3-aminopropyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCCN)n1
InChIInChI=1S/C8H13N3O2/c1-13-7-3-4-8(12)11(10-7)6-2-5-9/h3-4H,2,5-6,9H2,1H3
InChIKeyJDUJWBDYBOSYIW-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.40
Rot. Bonds4

About 2-(3-aminopropyl)-6-methoxypyridazin-3-one

2-(3-aminopropyl)-6-methoxypyridazin-3-one (PubChem CID 105061504) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(3-aminopropyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(3-aminopropyl)-6-methoxypyridazin-3-one
PubChem CID105061504
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(3-aminopropyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CCCN)n1
InChIInChI=1S/C8H13N3O2/c1-13-7-3-4-8(12)11(10-7)6-2-5-9/h3-4H,2,5-6,9H2,1H3
InChIKeyJDUJWBDYBOSYIW-UHFFFAOYSA-N
XLogP-0.40
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 ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Amino-1,1,1-trifluoropropan-2-yl)-6-methoxypyridazin-3-one
CID 105061442
6-Methoxy-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 113675831
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-6-methoxypyridazin-3-one
CID 113807420
2-(2-Cyanoethyl)-2,3-dihydro-6-methoxy-3-oxopyridazine
CID 587495
3-[3-(methylamino)propoxy]-1H-pyridazin-6-one
CID 122471473
6-Methoxy-2-propylpyridazin-3-one
CID 131085900
2-[2-(Aminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one
CID 103073140
2-[2-(Ethylaminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one
CID 103073141
6-Methoxy-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073142
6-Methoxy-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
CID 103073143
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl]-6-methoxypyridazin-3-one
CID 103073144
2-[2-(2-Aminoethoxy)ethyl]-6-methoxypyridazin-3-one
CID 103482444

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(3-aminopropyl)-6-methoxypyridazin-3-one (CID 105061504) is 2-(3-aminopropyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(3-aminopropyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(3-aminopropyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CCCN)n1.
What is the InChIKey of 2-(3-aminopropyl)-6-methoxypyridazin-3-one?
The InChIKey is JDUJWBDYBOSYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-13-7-3-4-8(12)11(10-7)6-2-5-9/h3-4H,2,5-6,9H2,1H3.
What are the key properties of 2-(3-aminopropyl)-6-methoxypyridazin-3-one?
2-(3-aminopropyl)-6-methoxypyridazin-3-one has a molecular weight of 183.21 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).