ethane;5-methyl-N-(oxetan-3-yl)pyridazin-3-amine

C10H17N3O — CID 168929650

IUPACethane;5-methyl-N-(oxetan-3-yl)pyridazin-3-amine
SMILESCC.Cc1cnnc(NC2COC2)c1
InChIInChI=1S/C8H11N3O.C2H6/c1-6-2-8(11-9-3-6)10-7-4-12-5-7;1-2/h2-3,7H,4-5H2,1H3,(H,10,11);1-2H3
InChIKeyYSFQKJNPRLWWQY-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.62
Rot. Bonds2

About ethane;5-methyl-N-(oxetan-3-yl)pyridazin-3-amine

ethane;5-methyl-N-(oxetan-3-yl)pyridazin-3-amine (PubChem CID 168929650) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is ethane;5-methyl-N-(oxetan-3-yl)pyridazin-3-amine.

Molecular Properties

Compound Nameethane;5-methyl-N-(oxetan-3-yl)pyridazin-3-amine
PubChem CID168929650
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Nameethane;5-methyl-N-(oxetan-3-yl)pyridazin-3-amine
SMILESCC.Cc1cnnc(NC2COC2)c1
InChIInChI=1S/C8H11N3O.C2H6/c1-6-2-8(11-9-3-6)10-7-4-12-5-7;1-2/h2-3,7H,4-5H2,1H3,(H,10,11);1-2H3
InChIKeyYSFQKJNPRLWWQY-UHFFFAOYSA-N
XLogP1.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-N-(oxetan-3-yl)pyridazin-3-amine?
The IUPAC name of ethane;5-methyl-N-(oxetan-3-yl)pyridazin-3-amine (CID 168929650) is ethane;5-methyl-N-(oxetan-3-yl)pyridazin-3-amine.
What is the SMILES notation for ethane;5-methyl-N-(oxetan-3-yl)pyridazin-3-amine?
The canonical SMILES for ethane;5-methyl-N-(oxetan-3-yl)pyridazin-3-amine is CC.Cc1cnnc(NC2COC2)c1.
What is the InChIKey of ethane;5-methyl-N-(oxetan-3-yl)pyridazin-3-amine?
The InChIKey is YSFQKJNPRLWWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.C2H6/c1-6-2-8(11-9-3-6)10-7-4-12-5-7;1-2/h2-3,7H,4-5H2,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;5-methyl-N-(oxetan-3-yl)pyridazin-3-amine?
ethane;5-methyl-N-(oxetan-3-yl)pyridazin-3-amine has a molecular weight of 195.27 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-N-(oxetan-3-yl)pyridazin-3-amine is sourced from PubChem (CID 168929650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).