1,4,7-triazonane;pentahydrochloride

C6H20Cl5N3 — CID 75530446

IUPAC1,4,7-triazonane;pentahydrochloride
SMILESC1CNCCNCCN1.Cl.Cl.Cl.Cl.Cl
InChIInChI=1S/C6H15N3.5ClH/c1-2-8-5-6-9-4-3-7-1;;;;;/h7-9H,1-6H2;5*1H
InChIKeyPVLCLGILQGOYCV-UHFFFAOYSA-N
MW311.51 g/mol
LogP0.88
Rot. Bonds

About 1,4,7-triazonane;pentahydrochloride

1,4,7-triazonane;pentahydrochloride (PubChem CID 75530446) has the molecular formula C6H20Cl5N3 and a molecular weight of 311.51 g/mol. Its IUPAC name is 1,4,7-triazonane;pentahydrochloride.

Molecular Properties

Compound Name1,4,7-triazonane;pentahydrochloride
PubChem CID75530446
Molecular FormulaC6H20Cl5N3
Molecular Weight311.51 g/mol
Exact Mass309.01
IUPAC Name1,4,7-triazonane;pentahydrochloride
SMILESC1CNCCNCCN1.Cl.Cl.Cl.Cl.Cl
InChIInChI=1S/C6H15N3.5ClH/c1-2-8-5-6-9-4-3-7-1;;;;;/h7-9H,1-6H2;5*1H
InChIKeyPVLCLGILQGOYCV-UHFFFAOYSA-N
XLogP0.88
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,7-triazonane;pentahydrochloride?
The IUPAC name of 1,4,7-triazonane;pentahydrochloride (CID 75530446) is 1,4,7-triazonane;pentahydrochloride.
What is the SMILES notation for 1,4,7-triazonane;pentahydrochloride?
The canonical SMILES for 1,4,7-triazonane;pentahydrochloride is C1CNCCNCCN1.Cl.Cl.Cl.Cl.Cl.
What is the InChIKey of 1,4,7-triazonane;pentahydrochloride?
The InChIKey is PVLCLGILQGOYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3.5ClH/c1-2-8-5-6-9-4-3-7-1;;;;;/h7-9H,1-6H2;5*1H.
What are the key properties of 1,4,7-triazonane;pentahydrochloride?
1,4,7-triazonane;pentahydrochloride has a molecular weight of 311.51 g/mol, XLogP of 0.88, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-triazonane;pentahydrochloride is sourced from PubChem (CID 75530446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).