5-ethyl-N-(oxan-4-ylmethyl)pyridazin-3-amine

C12H19N3O — CID 168930149

IUPAC5-ethyl-N-(oxan-4-ylmethyl)pyridazin-3-amine
SMILESCCc1cnnc(NCC2CCOCC2)c1
InChIInChI=1S/C12H19N3O/c1-2-10-7-12(15-14-9-10)13-8-11-3-5-16-6-4-11/h7,9,11H,2-6,8H2,1H3,(H,13,15)
InChIKeyXCQFULIIHJSNSQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.88
Rot. Bonds4

About 5-ethyl-N-(oxan-4-ylmethyl)pyridazin-3-amine

5-ethyl-N-(oxan-4-ylmethyl)pyridazin-3-amine (PubChem CID 168930149) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-ethyl-N-(oxan-4-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound Name5-ethyl-N-(oxan-4-ylmethyl)pyridazin-3-amine
PubChem CID168930149
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-ethyl-N-(oxan-4-ylmethyl)pyridazin-3-amine
SMILESCCc1cnnc(NCC2CCOCC2)c1
InChIInChI=1S/C12H19N3O/c1-2-10-7-12(15-14-9-10)13-8-11-3-5-16-6-4-11/h7,9,11H,2-6,8H2,1H3,(H,13,15)
InChIKeyXCQFULIIHJSNSQ-UHFFFAOYSA-N
XLogP1.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(oxan-4-ylmethyl)pyridazin-3-amine?
The IUPAC name of 5-ethyl-N-(oxan-4-ylmethyl)pyridazin-3-amine (CID 168930149) is 5-ethyl-N-(oxan-4-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for 5-ethyl-N-(oxan-4-ylmethyl)pyridazin-3-amine?
The canonical SMILES for 5-ethyl-N-(oxan-4-ylmethyl)pyridazin-3-amine is CCc1cnnc(NCC2CCOCC2)c1.
What is the InChIKey of 5-ethyl-N-(oxan-4-ylmethyl)pyridazin-3-amine?
The InChIKey is XCQFULIIHJSNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-10-7-12(15-14-9-10)13-8-11-3-5-16-6-4-11/h7,9,11H,2-6,8H2,1H3,(H,13,15).
What are the key properties of 5-ethyl-N-(oxan-4-ylmethyl)pyridazin-3-amine?
5-ethyl-N-(oxan-4-ylmethyl)pyridazin-3-amine has a molecular weight of 221.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(oxan-4-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 168930149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).