4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine

C6H7N7O2 — CID 3091098

IUPAC4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine
SMILESCc1nonc1/N=N/Nc1nonc1C
InChIInChI=1S/C6H7N7O2/c1-3-5(11-14-9-3)7-13-8-6-4(2)10-15-12-6/h1-2H3,(H,7,8,11,12)
InChIKeyDVQVXXNQKPQAIY-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.18
Rot. Bonds3

About 4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine

4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine (PubChem CID 3091098) has the molecular formula C6H7N7O2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine
PubChem CID3091098
Molecular FormulaC6H7N7O2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine
SMILESCc1nonc1/N=N/Nc1nonc1C
InChIInChI=1S/C6H7N7O2/c1-3-5(11-14-9-3)7-13-8-6-4(2)10-15-12-6/h1-2H3,(H,7,8,11,12)
InChIKeyDVQVXXNQKPQAIY-UHFFFAOYSA-N
XLogP1.18
TPSA114.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine (CID 3091098) is 4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine is Cc1nonc1/N=N/Nc1nonc1C.
What is the InChIKey of 4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine?
The InChIKey is DVQVXXNQKPQAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N7O2/c1-3-5(11-14-9-3)7-13-8-6-4(2)10-15-12-6/h1-2H3,(H,7,8,11,12).
What are the key properties of 4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine?
4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine has a molecular weight of 209.17 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 3091098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).