1,1-bis(4,5-dihydroimidazol-1-yl)propyldiazene

C9H16N6 — CID 68799979

IUPAC1,1-bis(4,5-dihydroimidazol-1-yl)propyldiazene
SMILES[H]/N=N/C(CC)(N1C=NCC1)N1C=NCC1
InChIInChI=1S/C9H16N6/c1-2-9(13-10,14-5-3-11-7-14)15-6-4-12-8-15/h7-8,10H,2-6H2,1H3/b13-10+
InChIKeyRDRIQFVCQHQWLF-JLHYYAGUSA-N
MW208.27 g/mol
LogP0.77
Rot. Bonds4

About 1,1-bis(4,5-dihydroimidazol-1-yl)propyldiazene

1,1-bis(4,5-dihydroimidazol-1-yl)propyldiazene (PubChem CID 68799979) has the molecular formula C9H16N6 and a molecular weight of 208.27 g/mol. Its IUPAC name is 1,1-bis(4,5-dihydroimidazol-1-yl)propyldiazene.

Molecular Properties

Compound Name1,1-bis(4,5-dihydroimidazol-1-yl)propyldiazene
PubChem CID68799979
Molecular FormulaC9H16N6
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name1,1-bis(4,5-dihydroimidazol-1-yl)propyldiazene
SMILES[H]/N=N/C(CC)(N1C=NCC1)N1C=NCC1
InChIInChI=1S/C9H16N6/c1-2-9(13-10,14-5-3-11-7-14)15-6-4-12-8-15/h7-8,10H,2-6H2,1H3/b13-10+
InChIKeyRDRIQFVCQHQWLF-JLHYYAGUSA-N
XLogP0.77
TPSA67.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 1,1-bis(4,5-dihydroimidazol-1-yl)propyldiazene?
The IUPAC name of 1,1-bis(4,5-dihydroimidazol-1-yl)propyldiazene (CID 68799979) is 1,1-bis(4,5-dihydroimidazol-1-yl)propyldiazene.
What is the SMILES notation for 1,1-bis(4,5-dihydroimidazol-1-yl)propyldiazene?
The canonical SMILES for 1,1-bis(4,5-dihydroimidazol-1-yl)propyldiazene is [H]/N=N/C(CC)(N1C=NCC1)N1C=NCC1.
What is the InChIKey of 1,1-bis(4,5-dihydroimidazol-1-yl)propyldiazene?
The InChIKey is RDRIQFVCQHQWLF-JLHYYAGUSA-N. The full InChI is InChI=1S/C9H16N6/c1-2-9(13-10,14-5-3-11-7-14)15-6-4-12-8-15/h7-8,10H,2-6H2,1H3/b13-10+.
What are the key properties of 1,1-bis(4,5-dihydroimidazol-1-yl)propyldiazene?
1,1-bis(4,5-dihydroimidazol-1-yl)propyldiazene has a molecular weight of 208.27 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4,5-dihydroimidazol-1-yl)propyldiazene is sourced from PubChem (CID 68799979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).