5-methyl-N-(oxan-4-yl)pyridazin-3-amine;molecular hydrogen;propane

C13H25N3O — CID 144655589

IUPAC5-methyl-N-(oxan-4-yl)pyridazin-3-amine;molecular hydrogen;propane
SMILESCCC.Cc1cnnc(NC2CCOCC2)c1.[H][H]
InChIInChI=1S/C10H15N3O.C3H8.H2/c1-8-6-10(13-11-7-8)12-9-2-4-14-5-3-9;1-3-2;/h6-7,9H,2-5H2,1H3,(H,12,13);3H2,1-2H3;1H
InChIKeyJRIMTKABJWITNX-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.04
Rot. Bonds2

About 5-methyl-N-(oxan-4-yl)pyridazin-3-amine;molecular hydrogen;propane

5-methyl-N-(oxan-4-yl)pyridazin-3-amine;molecular hydrogen;propane (PubChem CID 144655589) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-methyl-N-(oxan-4-yl)pyridazin-3-amine;molecular hydrogen;propane.

Molecular Properties

Compound Name5-methyl-N-(oxan-4-yl)pyridazin-3-amine;molecular hydrogen;propane
PubChem CID144655589
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name5-methyl-N-(oxan-4-yl)pyridazin-3-amine;molecular hydrogen;propane
SMILESCCC.Cc1cnnc(NC2CCOCC2)c1.[H][H]
InChIInChI=1S/C10H15N3O.C3H8.H2/c1-8-6-10(13-11-7-8)12-9-2-4-14-5-3-9;1-3-2;/h6-7,9H,2-5H2,1H3,(H,12,13);3H2,1-2H3;1H
InChIKeyJRIMTKABJWITNX-UHFFFAOYSA-N
XLogP3.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxan-4-yl)pyridazin-3-amine;molecular hydrogen;propane?
The IUPAC name of 5-methyl-N-(oxan-4-yl)pyridazin-3-amine;molecular hydrogen;propane (CID 144655589) is 5-methyl-N-(oxan-4-yl)pyridazin-3-amine;molecular hydrogen;propane.
What is the SMILES notation for 5-methyl-N-(oxan-4-yl)pyridazin-3-amine;molecular hydrogen;propane?
The canonical SMILES for 5-methyl-N-(oxan-4-yl)pyridazin-3-amine;molecular hydrogen;propane is CCC.Cc1cnnc(NC2CCOCC2)c1.[H][H].
What is the InChIKey of 5-methyl-N-(oxan-4-yl)pyridazin-3-amine;molecular hydrogen;propane?
The InChIKey is JRIMTKABJWITNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O.C3H8.H2/c1-8-6-10(13-11-7-8)12-9-2-4-14-5-3-9;1-3-2;/h6-7,9H,2-5H2,1H3,(H,12,13);3H2,1-2H3;1H.
What are the key properties of 5-methyl-N-(oxan-4-yl)pyridazin-3-amine;molecular hydrogen;propane?
5-methyl-N-(oxan-4-yl)pyridazin-3-amine;molecular hydrogen;propane has a molecular weight of 239.36 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxan-4-yl)pyridazin-3-amine;molecular hydrogen;propane is sourced from PubChem (CID 144655589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).