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

C11H17N3O — CID 103373808

IUPAC1-(6-methoxypyridazin-3-yl)-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(N)c1ccc(OC)nn1
InChIInChI=1S/C11H17N3O/c1-4-8(2)7-9(12)10-5-6-11(15-3)14-13-10/h5-6,9H,2,4,7,12H2,1,3H3
InChIKeyQOJCCSITHOVXMH-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.84
Rot. Bonds5

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

1-(6-methoxypyridazin-3-yl)-3-methylidenepentan-1-amine (PubChem CID 103373808) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-3-methylidenepentan-1-amine.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-3-methylidenepentan-1-amine
PubChem CID103373808
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(6-methoxypyridazin-3-yl)-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(N)c1ccc(OC)nn1
InChIInChI=1S/C11H17N3O/c1-4-8(2)7-9(12)10-5-6-11(15-3)14-13-10/h5-6,9H,2,4,7,12H2,1,3H3
InChIKeyQOJCCSITHOVXMH-UHFFFAOYSA-N
XLogP1.84
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(6-methoxypyrimidin-4-yl)-3-methylidenepentan-1-amine
CID 102950603
1-(3,4-dimethoxyphenyl)-3-methylidenepentan-1-amine
CID 66046502
(1R)-1-(6-methoxypyridazin-3-yl)ethanamine
CID 69002716
1-(6-methoxypyridazin-3-yl)-2-(4-methylphenyl)ethanamine
CID 103373893
[1-(6-methoxypyrimidin-4-yl)-3-methylidenepentyl]hydrazine
CID 102953237
1-(6-methoxypyridazin-3-yl)-4-phenylbutan-1-amine
CID 103373753
1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanamine
CID 103373901
1-(6-methoxypyridazin-3-yl)pentan-1-ol
CID 103373456
[1-(6-methoxypyridazin-3-yl)-4-methylpent-4-enyl]hydrazine
CID 103375492
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103373776
1-(6-methoxypyridazin-3-yl)-N,2-dimethylprop-2-en-1-amine
CID 103374177
boric acid;3,6-dimethoxypyridazine
CID 139090617

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)-3-methylidenepentan-1-amine?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-3-methylidenepentan-1-amine (CID 103373808) is 1-(6-methoxypyridazin-3-yl)-3-methylidenepentan-1-amine.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-3-methylidenepentan-1-amine?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-3-methylidenepentan-1-amine is C=C(CC)CC(N)c1ccc(OC)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-3-methylidenepentan-1-amine?
The InChIKey is QOJCCSITHOVXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-4-8(2)7-9(12)10-5-6-11(15-3)14-13-10/h5-6,9H,2,4,7,12H2,1,3H3.
What are the key properties of 1-(6-methoxypyridazin-3-yl)-3-methylidenepentan-1-amine?
1-(6-methoxypyridazin-3-yl)-3-methylidenepentan-1-amine has a molecular weight of 207.28 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyridazin-3-yl)-3-methylidenepentan-1-amine is sourced from PubChem (CID 103373808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).