3-(6-methoxypyridazin-3-yl)propan-1-amine

C8H13N3O — CID 69106674

IUPAC3-(6-methoxypyridazin-3-yl)propan-1-amine
SMILESCOc1ccc(CCCN)nn1
InChIInChI=1S/C8H13N3O/c1-12-8-5-4-7(10-11-8)3-2-6-9/h4-5H,2-3,6,9H2,1H3
InChIKeyOTUWXWQRBJSBKI-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.38
Rot. Bonds4

About 3-(6-methoxypyridazin-3-yl)propan-1-amine

3-(6-methoxypyridazin-3-yl)propan-1-amine (PubChem CID 69106674) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(6-methoxypyridazin-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-methoxypyridazin-3-yl)propan-1-amine
PubChem CID69106674
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-(6-methoxypyridazin-3-yl)propan-1-amine
SMILESCOc1ccc(CCCN)nn1
InChIInChI=1S/C8H13N3O/c1-12-8-5-4-7(10-11-8)3-2-6-9/h4-5H,2-3,6,9H2,1H3
InChIKeyOTUWXWQRBJSBKI-UHFFFAOYSA-N
XLogP0.38
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxypyridazin-3-yl)propan-1-amine?
The IUPAC name of 3-(6-methoxypyridazin-3-yl)propan-1-amine (CID 69106674) is 3-(6-methoxypyridazin-3-yl)propan-1-amine.
What is the SMILES notation for 3-(6-methoxypyridazin-3-yl)propan-1-amine?
The canonical SMILES for 3-(6-methoxypyridazin-3-yl)propan-1-amine is COc1ccc(CCCN)nn1.
What is the InChIKey of 3-(6-methoxypyridazin-3-yl)propan-1-amine?
The InChIKey is OTUWXWQRBJSBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-12-8-5-4-7(10-11-8)3-2-6-9/h4-5H,2-3,6,9H2,1H3.
What are the key properties of 3-(6-methoxypyridazin-3-yl)propan-1-amine?
3-(6-methoxypyridazin-3-yl)propan-1-amine has a molecular weight of 167.21 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxypyridazin-3-yl)propan-1-amine is sourced from PubChem (CID 69106674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).