5-methyl-N-(oxolan-3-yl)pyridazin-3-amine

C9H13N3O — CID 106549874

IUPAC5-methyl-N-(oxolan-3-yl)pyridazin-3-amine
SMILESCc1cnnc(NC2CCOC2)c1
InChIInChI=1S/C9H13N3O/c1-7-4-9(12-10-5-7)11-8-2-3-13-6-8/h4-5,8H,2-3,6H2,1H3,(H,11,12)
InChIKeyVQWRBEHXBFPQOI-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.99
Rot. Bonds2

About 5-methyl-N-(oxolan-3-yl)pyridazin-3-amine

5-methyl-N-(oxolan-3-yl)pyridazin-3-amine (PubChem CID 106549874) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-methyl-N-(oxolan-3-yl)pyridazin-3-amine.

Molecular Properties

Compound Name5-methyl-N-(oxolan-3-yl)pyridazin-3-amine
PubChem CID106549874
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-methyl-N-(oxolan-3-yl)pyridazin-3-amine
SMILESCc1cnnc(NC2CCOC2)c1
InChIInChI=1S/C9H13N3O/c1-7-4-9(12-10-5-7)11-8-2-3-13-6-8/h4-5,8H,2-3,6H2,1H3,(H,11,12)
InChIKeyVQWRBEHXBFPQOI-UHFFFAOYSA-N
XLogP0.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxolan-3-yl)pyridazin-3-amine?
The IUPAC name of 5-methyl-N-(oxolan-3-yl)pyridazin-3-amine (CID 106549874) is 5-methyl-N-(oxolan-3-yl)pyridazin-3-amine.
What is the SMILES notation for 5-methyl-N-(oxolan-3-yl)pyridazin-3-amine?
The canonical SMILES for 5-methyl-N-(oxolan-3-yl)pyridazin-3-amine is Cc1cnnc(NC2CCOC2)c1.
What is the InChIKey of 5-methyl-N-(oxolan-3-yl)pyridazin-3-amine?
The InChIKey is VQWRBEHXBFPQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-4-9(12-10-5-7)11-8-2-3-13-6-8/h4-5,8H,2-3,6H2,1H3,(H,11,12).
What are the key properties of 5-methyl-N-(oxolan-3-yl)pyridazin-3-amine?
5-methyl-N-(oxolan-3-yl)pyridazin-3-amine has a molecular weight of 179.22 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxolan-3-yl)pyridazin-3-amine is sourced from PubChem (CID 106549874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).