1,3-dimethyl-N-(methyldiazenyl)imidazol-2-imine

C6H11N5 — CID 129064416

IUPAC1,3-dimethyl-N-(methyldiazenyl)imidazol-2-imine
SMILESC/N=N/N=c1n(C)ccn1C
InChIInChI=1S/C6H11N5/c1-7-9-8-6-10(2)4-5-11(6)3/h4-5H,1-3H3/b9-7+
InChIKeyKWZKAKDOUGGJFR-VQHVLOKHSA-N
MW153.19 g/mol
LogP0.26
Rot. Bonds1

About 1,3-dimethyl-N-(methyldiazenyl)imidazol-2-imine

1,3-dimethyl-N-(methyldiazenyl)imidazol-2-imine (PubChem CID 129064416) has the molecular formula C6H11N5 and a molecular weight of 153.19 g/mol. Its IUPAC name is 1,3-dimethyl-N-(methyldiazenyl)imidazol-2-imine.

Molecular Properties

Compound Name1,3-dimethyl-N-(methyldiazenyl)imidazol-2-imine
PubChem CID129064416
Molecular FormulaC6H11N5
Molecular Weight153.19 g/mol
Exact Mass153.10
IUPAC Name1,3-dimethyl-N-(methyldiazenyl)imidazol-2-imine
SMILESC/N=N/N=c1n(C)ccn1C
InChIInChI=1S/C6H11N5/c1-7-9-8-6-10(2)4-5-11(6)3/h4-5H,1-3H3/b9-7+
InChIKeyKWZKAKDOUGGJFR-VQHVLOKHSA-N
XLogP0.26
TPSA46.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.26
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(methyldiazenyl)imidazol-2-imine?
The IUPAC name of 1,3-dimethyl-N-(methyldiazenyl)imidazol-2-imine (CID 129064416) is 1,3-dimethyl-N-(methyldiazenyl)imidazol-2-imine.
What is the SMILES notation for 1,3-dimethyl-N-(methyldiazenyl)imidazol-2-imine?
The canonical SMILES for 1,3-dimethyl-N-(methyldiazenyl)imidazol-2-imine is C/N=N/N=c1n(C)ccn1C.
What is the InChIKey of 1,3-dimethyl-N-(methyldiazenyl)imidazol-2-imine?
The InChIKey is KWZKAKDOUGGJFR-VQHVLOKHSA-N. The full InChI is InChI=1S/C6H11N5/c1-7-9-8-6-10(2)4-5-11(6)3/h4-5H,1-3H3/b9-7+.
What are the key properties of 1,3-dimethyl-N-(methyldiazenyl)imidazol-2-imine?
1,3-dimethyl-N-(methyldiazenyl)imidazol-2-imine has a molecular weight of 153.19 g/mol, XLogP of 0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(methyldiazenyl)imidazol-2-imine is sourced from PubChem (CID 129064416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).