azane;2-methyl-6-azabicyclo[3.1.0]hexa-1,3,5-triene

C6H8N2 — CID 89179102

IUPACazane;2-methyl-6-azabicyclo[3.1.0]hexa-1,3,5-triene
SMILESCc1ccc2nc1-2.N
InChIInChI=1S/C6H5N.H3N/c1-4-2-3-5-6(4)7-5;/h2-3H,1H3;1H3
InChIKeyADPZBWKYWCMGBP-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.53
Rot. Bonds

About azane;2-methyl-6-azabicyclo[3.1.0]hexa-1,3,5-triene

azane;2-methyl-6-azabicyclo[3.1.0]hexa-1,3,5-triene (PubChem CID 89179102) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is azane;2-methyl-6-azabicyclo[3.1.0]hexa-1,3,5-triene.

Molecular Properties

Compound Nameazane;2-methyl-6-azabicyclo[3.1.0]hexa-1,3,5-triene
PubChem CID89179102
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Nameazane;2-methyl-6-azabicyclo[3.1.0]hexa-1,3,5-triene
SMILESCc1ccc2nc1-2.N
InChIInChI=1S/C6H5N.H3N/c1-4-2-3-5-6(4)7-5;/h2-3H,1H3;1H3
InChIKeyADPZBWKYWCMGBP-UHFFFAOYSA-N
XLogP1.53
TPSA47.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azane;2-methyl-6-azabicyclo[3.1.0]hexa-1,3,5-triene?
The IUPAC name of azane;2-methyl-6-azabicyclo[3.1.0]hexa-1,3,5-triene (CID 89179102) is azane;2-methyl-6-azabicyclo[3.1.0]hexa-1,3,5-triene.
What is the SMILES notation for azane;2-methyl-6-azabicyclo[3.1.0]hexa-1,3,5-triene?
The canonical SMILES for azane;2-methyl-6-azabicyclo[3.1.0]hexa-1,3,5-triene is Cc1ccc2nc1-2.N.
What is the InChIKey of azane;2-methyl-6-azabicyclo[3.1.0]hexa-1,3,5-triene?
The InChIKey is ADPZBWKYWCMGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N.H3N/c1-4-2-3-5-6(4)7-5;/h2-3H,1H3;1H3.
What are the key properties of azane;2-methyl-6-azabicyclo[3.1.0]hexa-1,3,5-triene?
azane;2-methyl-6-azabicyclo[3.1.0]hexa-1,3,5-triene has a molecular weight of 108.14 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methyl-6-azabicyclo[3.1.0]hexa-1,3,5-triene is sourced from PubChem (CID 89179102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).