[3-(3-methylbutan-2-yloxy)pyridazin-4-yl]methanamine

C10H17N3O — CID 80507730

IUPAC[3-(3-methylbutan-2-yloxy)pyridazin-4-yl]methanamine
SMILESCC(C)C(C)Oc1nnccc1CN
InChIInChI=1S/C10H17N3O/c1-7(2)8(3)14-10-9(6-11)4-5-12-13-10/h4-5,7-8H,6,11H2,1-3H3
InChIKeyLBTYDCBZRNVCBJ-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.36
Rot. Bonds4

About [3-(3-methylbutan-2-yloxy)pyridazin-4-yl]methanamine

[3-(3-methylbutan-2-yloxy)pyridazin-4-yl]methanamine (PubChem CID 80507730) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is [3-(3-methylbutan-2-yloxy)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(3-methylbutan-2-yloxy)pyridazin-4-yl]methanamine
PubChem CID80507730
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name[3-(3-methylbutan-2-yloxy)pyridazin-4-yl]methanamine
SMILESCC(C)C(C)Oc1nnccc1CN
InChIInChI=1S/C10H17N3O/c1-7(2)8(3)14-10-9(6-11)4-5-12-13-10/h4-5,7-8H,6,11H2,1-3H3
InChIKeyLBTYDCBZRNVCBJ-UHFFFAOYSA-N
XLogP1.36
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methylbutan-2-yloxy)pyridazin-4-yl]methanamine?
The IUPAC name of [3-(3-methylbutan-2-yloxy)pyridazin-4-yl]methanamine (CID 80507730) is [3-(3-methylbutan-2-yloxy)pyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(3-methylbutan-2-yloxy)pyridazin-4-yl]methanamine?
The canonical SMILES for [3-(3-methylbutan-2-yloxy)pyridazin-4-yl]methanamine is CC(C)C(C)Oc1nnccc1CN.
What is the InChIKey of [3-(3-methylbutan-2-yloxy)pyridazin-4-yl]methanamine?
The InChIKey is LBTYDCBZRNVCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)8(3)14-10-9(6-11)4-5-12-13-10/h4-5,7-8H,6,11H2,1-3H3.
What are the key properties of [3-(3-methylbutan-2-yloxy)pyridazin-4-yl]methanamine?
[3-(3-methylbutan-2-yloxy)pyridazin-4-yl]methanamine has a molecular weight of 195.27 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylbutan-2-yloxy)pyridazin-4-yl]methanamine is sourced from PubChem (CID 80507730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).