5-cyclopropyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene

C11H15N3 — CID 115017906

IUPAC5-cyclopropyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene
SMILESc1nn(C2CC2)c2c1C1CCC(C2)N1
InChIInChI=1S/C11H15N3/c1-4-10-9-6-12-14(8-2-3-8)11(9)5-7(1)13-10/h6-8,10,13H,1-5H2
InChIKeyXOTXWFQERPKUEM-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.57
Rot. Bonds1

About 5-cyclopropyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene

5-cyclopropyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene (PubChem CID 115017906) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-cyclopropyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene.

Molecular Properties

Compound Name5-cyclopropyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene
PubChem CID115017906
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name5-cyclopropyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene
SMILESc1nn(C2CC2)c2c1C1CCC(C2)N1
InChIInChI=1S/C11H15N3/c1-4-10-9-6-12-14(8-2-3-8)11(9)5-7(1)13-10/h6-8,10,13H,1-5H2
InChIKeyXOTXWFQERPKUEM-UHFFFAOYSA-N
XLogP1.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene?
The IUPAC name of 5-cyclopropyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene (CID 115017906) is 5-cyclopropyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene.
What is the SMILES notation for 5-cyclopropyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene?
The canonical SMILES for 5-cyclopropyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene is c1nn(C2CC2)c2c1C1CCC(C2)N1.
What is the InChIKey of 5-cyclopropyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene?
The InChIKey is XOTXWFQERPKUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-4-10-9-6-12-14(8-2-3-8)11(9)5-7(1)13-10/h6-8,10,13H,1-5H2.
What are the key properties of 5-cyclopropyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene?
5-cyclopropyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene has a molecular weight of 189.26 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene is sourced from PubChem (CID 115017906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).