azane;1,4,7-triazonane

C6H18N4 — CID 90266240

IUPACazane;1,4,7-triazonane
SMILESC1CNCCNCCN1.N
InChIInChI=1S/C6H15N3.H3N/c1-2-8-5-6-9-4-3-7-1;/h7-9H,1-6H2;1H3
InChIKeyATDWMYYYLSXJAH-UHFFFAOYSA-N
MW146.24 g/mol
LogP-1.07
Rot. Bonds

About azane;1,4,7-triazonane

azane;1,4,7-triazonane (PubChem CID 90266240) has the molecular formula C6H18N4 and a molecular weight of 146.24 g/mol. Its IUPAC name is azane;1,4,7-triazonane.

Molecular Properties

Compound Nameazane;1,4,7-triazonane
PubChem CID90266240
Molecular FormulaC6H18N4
Molecular Weight146.24 g/mol
Exact Mass146.15
IUPAC Nameazane;1,4,7-triazonane
SMILESC1CNCCNCCN1.N
InChIInChI=1S/C6H15N3.H3N/c1-2-8-5-6-9-4-3-7-1;/h7-9H,1-6H2;1H3
InChIKeyATDWMYYYLSXJAH-UHFFFAOYSA-N
XLogP-1.07
TPSA71.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.24
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;1,4,7-triazonane?
The IUPAC name of azane;1,4,7-triazonane (CID 90266240) is azane;1,4,7-triazonane.
What is the SMILES notation for azane;1,4,7-triazonane?
The canonical SMILES for azane;1,4,7-triazonane is C1CNCCNCCN1.N.
What is the InChIKey of azane;1,4,7-triazonane?
The InChIKey is ATDWMYYYLSXJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3.H3N/c1-2-8-5-6-9-4-3-7-1;/h7-9H,1-6H2;1H3.
What are the key properties of azane;1,4,7-triazonane?
azane;1,4,7-triazonane has a molecular weight of 146.24 g/mol, XLogP of -1.07, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,4,7-triazonane is sourced from PubChem (CID 90266240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).