12-prop-2-enyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

C12H15N3 — CID 121183365

IUPAC12-prop-2-enyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESC=CCN1C2CCC1c1cncnc1C2
InChIInChI=1S/C12H15N3/c1-2-5-15-9-3-4-12(15)10-7-13-8-14-11(10)6-9/h2,7-9,12H,1,3-6H2
InChIKeyBGJMXODESLYVTP-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.72
Rot. Bonds2

About 12-prop-2-enyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

12-prop-2-enyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (PubChem CID 121183365) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 12-prop-2-enyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name12-prop-2-enyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
PubChem CID121183365
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name12-prop-2-enyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESC=CCN1C2CCC1c1cncnc1C2
InChIInChI=1S/C12H15N3/c1-2-5-15-9-3-4-12(15)10-7-13-8-14-11(10)6-9/h2,7-9,12H,1,3-6H2
InChIKeyBGJMXODESLYVTP-UHFFFAOYSA-N
XLogP1.72
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12-prop-2-enyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The IUPAC name of 12-prop-2-enyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (CID 121183365) is 12-prop-2-enyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for 12-prop-2-enyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The canonical SMILES for 12-prop-2-enyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is C=CCN1C2CCC1c1cncnc1C2.
What is the InChIKey of 12-prop-2-enyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The InChIKey is BGJMXODESLYVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-2-5-15-9-3-4-12(15)10-7-13-8-14-11(10)6-9/h2,7-9,12H,1,3-6H2.
What are the key properties of 12-prop-2-enyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
12-prop-2-enyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene has a molecular weight of 201.27 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-prop-2-enyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 121183365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).