4-propan-2-yl-2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-diene

C12H19N3 — CID 166754060

IUPAC4-propan-2-yl-2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-diene
SMILESCC(C)c1cn2c(n1)CN1CCC2CC1
InChIInChI=1S/C12H19N3/c1-9(2)11-7-15-10-3-5-14(6-4-10)8-12(15)13-11/h7,9-10H,3-6,8H2,1-2H3
InChIKeyFGQAYVLAUZVODH-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.16
Rot. Bonds1

About 4-propan-2-yl-2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-diene

4-propan-2-yl-2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-diene (PubChem CID 166754060) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 4-propan-2-yl-2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-diene.

Molecular Properties

Compound Name4-propan-2-yl-2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-diene
PubChem CID166754060
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name4-propan-2-yl-2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-diene
SMILESCC(C)c1cn2c(n1)CN1CCC2CC1
InChIInChI=1S/C12H19N3/c1-9(2)11-7-15-10-3-5-14(6-4-10)8-12(15)13-11/h7,9-10H,3-6,8H2,1-2H3
InChIKeyFGQAYVLAUZVODH-UHFFFAOYSA-N
XLogP2.16
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-diene?
The IUPAC name of 4-propan-2-yl-2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-diene (CID 166754060) is 4-propan-2-yl-2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-diene.
What is the SMILES notation for 4-propan-2-yl-2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-diene?
The canonical SMILES for 4-propan-2-yl-2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-diene is CC(C)c1cn2c(n1)CN1CCC2CC1.
What is the InChIKey of 4-propan-2-yl-2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-diene?
The InChIKey is FGQAYVLAUZVODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9(2)11-7-15-10-3-5-14(6-4-10)8-12(15)13-11/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of 4-propan-2-yl-2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-diene?
4-propan-2-yl-2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-diene has a molecular weight of 205.31 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2,5,8-triazatricyclo[6.2.2.02,6]dodeca-3,5-diene is sourced from PubChem (CID 166754060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).