bicyclo[2.2.0]hexa-1,3,5-triene;triazane

C6H9N3 — CID 67591843

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;triazane
SMILESNNN.c1cc2ccc1-2
InChIInChI=1S/C6H4.H5N3/c1-2-6-4-3-5(1)6;1-3-2/h1-4H;3H,1-2H2
InChIKeyDCAPYGZGPFQWJA-UHFFFAOYSA-N
MW123.16 g/mol
LogP-0.01
Rot. Bonds

About bicyclo[2.2.0]hexa-1,3,5-triene;triazane

bicyclo[2.2.0]hexa-1,3,5-triene;triazane (PubChem CID 67591843) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;triazane.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;triazane
PubChem CID67591843
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;triazane
SMILESNNN.c1cc2ccc1-2
InChIInChI=1S/C6H4.H5N3/c1-2-6-4-3-5(1)6;1-3-2/h1-4H;3H,1-2H2
InChIKeyDCAPYGZGPFQWJA-UHFFFAOYSA-N
XLogP-0.01
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 bicyclo[2.2.0]hexa-1,3,5-triene;triazane?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;triazane (CID 67591843) is bicyclo[2.2.0]hexa-1,3,5-triene;triazane.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;triazane?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;triazane is NNN.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;triazane?
The InChIKey is DCAPYGZGPFQWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.H5N3/c1-2-6-4-3-5(1)6;1-3-2/h1-4H;3H,1-2H2.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;triazane?
bicyclo[2.2.0]hexa-1,3,5-triene;triazane has a molecular weight of 123.16 g/mol, XLogP of -0.01, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;triazane is sourced from PubChem (CID 67591843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).