2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine

C11H17N3O — CID 106834075

IUPAC2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine
SMILESCC1CC(NCc2cccnn2)CCO1
InChIInChI=1S/C11H17N3O/c1-9-7-10(4-6-15-9)12-8-11-3-2-5-13-14-11/h2-3,5,9-10,12H,4,6-8H2,1H3
InChIKeyYKKHJUFATVAKCH-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.13
Rot. Bonds3

About 2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine

2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine (PubChem CID 106834075) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine.

Molecular Properties

Compound Name2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine
PubChem CID106834075
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine
SMILESCC1CC(NCc2cccnn2)CCO1
InChIInChI=1S/C11H17N3O/c1-9-7-10(4-6-15-9)12-8-11-3-2-5-13-14-11/h2-3,5,9-10,12H,4,6-8H2,1H3
InChIKeyYKKHJUFATVAKCH-UHFFFAOYSA-N
XLogP1.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine?
The IUPAC name of 2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine (CID 106834075) is 2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine.
What is the SMILES notation for 2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine?
The canonical SMILES for 2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine is CC1CC(NCc2cccnn2)CCO1.
What is the InChIKey of 2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine?
The InChIKey is YKKHJUFATVAKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-7-10(4-6-15-9)12-8-11-3-2-5-13-14-11/h2-3,5,9-10,12H,4,6-8H2,1H3.
What are the key properties of 2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine?
2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine has a molecular weight of 207.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyridazin-3-ylmethyl)oxan-4-amine is sourced from PubChem (CID 106834075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).