(E)-bis(4,5-dihydroimidazol-1-yl)diazene;propane

C9H18N6 — CID 22731113

IUPAC(E)-bis(4,5-dihydroimidazol-1-yl)diazene;propane
SMILESC1=NCCN1/N=N/N1C=NCC1.CCC
InChIInChI=1S/C6H10N6.C3H8/c1-3-11(5-7-1)9-10-12-4-2-8-6-12;1-3-2/h5-6H,1-4H2;3H2,1-2H3/b10-9+;
InChIKeyCTURYVCUZUDXMO-RRABGKBLSA-N
MW210.28 g/mol
LogP1.37
Rot. Bonds2

About (E)-bis(4,5-dihydroimidazol-1-yl)diazene;propane

(E)-bis(4,5-dihydroimidazol-1-yl)diazene;propane (PubChem CID 22731113) has the molecular formula C9H18N6 and a molecular weight of 210.28 g/mol. Its IUPAC name is (E)-bis(4,5-dihydroimidazol-1-yl)diazene;propane.

Molecular Properties

Compound Name(E)-bis(4,5-dihydroimidazol-1-yl)diazene;propane
PubChem CID22731113
Molecular FormulaC9H18N6
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC Name(E)-bis(4,5-dihydroimidazol-1-yl)diazene;propane
SMILESC1=NCCN1/N=N/N1C=NCC1.CCC
InChIInChI=1S/C6H10N6.C3H8/c1-3-11(5-7-1)9-10-12-4-2-8-6-12;1-3-2/h5-6H,1-4H2;3H2,1-2H3/b10-9+;
InChIKeyCTURYVCUZUDXMO-RRABGKBLSA-N
XLogP1.37
TPSA55.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-bis(4,5-dihydroimidazol-1-yl)diazene;propane?
The IUPAC name of (E)-bis(4,5-dihydroimidazol-1-yl)diazene;propane (CID 22731113) is (E)-bis(4,5-dihydroimidazol-1-yl)diazene;propane.
What is the SMILES notation for (E)-bis(4,5-dihydroimidazol-1-yl)diazene;propane?
The canonical SMILES for (E)-bis(4,5-dihydroimidazol-1-yl)diazene;propane is C1=NCCN1/N=N/N1C=NCC1.CCC.
What is the InChIKey of (E)-bis(4,5-dihydroimidazol-1-yl)diazene;propane?
The InChIKey is CTURYVCUZUDXMO-RRABGKBLSA-N. The full InChI is InChI=1S/C6H10N6.C3H8/c1-3-11(5-7-1)9-10-12-4-2-8-6-12;1-3-2/h5-6H,1-4H2;3H2,1-2H3/b10-9+;.
What are the key properties of (E)-bis(4,5-dihydroimidazol-1-yl)diazene;propane?
(E)-bis(4,5-dihydroimidazol-1-yl)diazene;propane has a molecular weight of 210.28 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-bis(4,5-dihydroimidazol-1-yl)diazene;propane is sourced from PubChem (CID 22731113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).