azane;4,11-diazatricyclo[5.4.0.02,10]undeca-1(7),2,4-triene

C9H13N3 — CID 68634027

IUPACazane;4,11-diazatricyclo[5.4.0.02,10]undeca-1(7),2,4-triene
SMILESC1=NC=C2C3=C(C1)CCC2N3.N
InChIInChI=1S/C9H10N2.H3N/c1-2-8-7-5-10-4-3-6(1)9(7)11-8;/h4-5,8,11H,1-3H2;1H3
InChIKeyFOTVHVUNKWPGBO-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.53
Rot. Bonds

About azane;4,11-diazatricyclo[5.4.0.02,10]undeca-1(7),2,4-triene

azane;4,11-diazatricyclo[5.4.0.02,10]undeca-1(7),2,4-triene (PubChem CID 68634027) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is azane;4,11-diazatricyclo[5.4.0.02,10]undeca-1(7),2,4-triene.

Molecular Properties

Compound Nameazane;4,11-diazatricyclo[5.4.0.02,10]undeca-1(7),2,4-triene
PubChem CID68634027
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Nameazane;4,11-diazatricyclo[5.4.0.02,10]undeca-1(7),2,4-triene
SMILESC1=NC=C2C3=C(C1)CCC2N3.N
InChIInChI=1S/C9H10N2.H3N/c1-2-8-7-5-10-4-3-6(1)9(7)11-8;/h4-5,8,11H,1-3H2;1H3
InChIKeyFOTVHVUNKWPGBO-UHFFFAOYSA-N
XLogP1.53
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;4,11-diazatricyclo[5.4.0.02,10]undeca-1(7),2,4-triene?
The IUPAC name of azane;4,11-diazatricyclo[5.4.0.02,10]undeca-1(7),2,4-triene (CID 68634027) is azane;4,11-diazatricyclo[5.4.0.02,10]undeca-1(7),2,4-triene.
What is the SMILES notation for azane;4,11-diazatricyclo[5.4.0.02,10]undeca-1(7),2,4-triene?
The canonical SMILES for azane;4,11-diazatricyclo[5.4.0.02,10]undeca-1(7),2,4-triene is C1=NC=C2C3=C(C1)CCC2N3.N.
What is the InChIKey of azane;4,11-diazatricyclo[5.4.0.02,10]undeca-1(7),2,4-triene?
The InChIKey is FOTVHVUNKWPGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.H3N/c1-2-8-7-5-10-4-3-6(1)9(7)11-8;/h4-5,8,11H,1-3H2;1H3.
What are the key properties of azane;4,11-diazatricyclo[5.4.0.02,10]undeca-1(7),2,4-triene?
azane;4,11-diazatricyclo[5.4.0.02,10]undeca-1(7),2,4-triene has a molecular weight of 163.22 g/mol, XLogP of 1.53, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4,11-diazatricyclo[5.4.0.02,10]undeca-1(7),2,4-triene is sourced from PubChem (CID 68634027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).