4-methoxy-N-(pyridazin-3-ylmethyl)butan-2-amine

C10H17N3O — CID 106832004

IUPAC4-methoxy-N-(pyridazin-3-ylmethyl)butan-2-amine
SMILESCOCCC(C)NCc1cccnn1
InChIInChI=1S/C10H17N3O/c1-9(5-7-14-2)11-8-10-4-3-6-12-13-10/h3-4,6,9,11H,5,7-8H2,1-2H3
InChIKeyVJKKGUKHGHAHPG-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.99
Rot. Bonds6

About 4-methoxy-N-(pyridazin-3-ylmethyl)butan-2-amine

4-methoxy-N-(pyridazin-3-ylmethyl)butan-2-amine (PubChem CID 106832004) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-methoxy-N-(pyridazin-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(pyridazin-3-ylmethyl)butan-2-amine
PubChem CID106832004
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-methoxy-N-(pyridazin-3-ylmethyl)butan-2-amine
SMILESCOCCC(C)NCc1cccnn1
InChIInChI=1S/C10H17N3O/c1-9(5-7-14-2)11-8-10-4-3-6-12-13-10/h3-4,6,9,11H,5,7-8H2,1-2H3
InChIKeyVJKKGUKHGHAHPG-UHFFFAOYSA-N
XLogP0.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(pyridazin-3-ylmethyl)butan-2-amine?
The IUPAC name of 4-methoxy-N-(pyridazin-3-ylmethyl)butan-2-amine (CID 106832004) is 4-methoxy-N-(pyridazin-3-ylmethyl)butan-2-amine.
What is the SMILES notation for 4-methoxy-N-(pyridazin-3-ylmethyl)butan-2-amine?
The canonical SMILES for 4-methoxy-N-(pyridazin-3-ylmethyl)butan-2-amine is COCCC(C)NCc1cccnn1.
What is the InChIKey of 4-methoxy-N-(pyridazin-3-ylmethyl)butan-2-amine?
The InChIKey is VJKKGUKHGHAHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-9(5-7-14-2)11-8-10-4-3-6-12-13-10/h3-4,6,9,11H,5,7-8H2,1-2H3.
What are the key properties of 4-methoxy-N-(pyridazin-3-ylmethyl)butan-2-amine?
4-methoxy-N-(pyridazin-3-ylmethyl)butan-2-amine has a molecular weight of 195.27 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(pyridazin-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 106832004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).