1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene-9-carboximidamide

C11H12N4 — CID 121209415

IUPAC1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene-9-carboximidamide
SMILES[H]/N=C(\N)c1cccn2c3c(nc12)CCC3
InChIInChI=1S/C11H12N4/c12-10(13)7-3-2-6-15-9-5-1-4-8(9)14-11(7)15/h2-3,6H,1,4-5H2,(H3,12,13)
InChIKeyLETJEKICFCZVGO-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.11
Rot. Bonds1

About 1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene-9-carboximidamide

1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene-9-carboximidamide (PubChem CID 121209415) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene-9-carboximidamide.

Molecular Properties

Compound Name1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene-9-carboximidamide
PubChem CID121209415
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene-9-carboximidamide
SMILES[H]/N=C(\N)c1cccn2c3c(nc12)CCC3
InChIInChI=1S/C11H12N4/c12-10(13)7-3-2-6-15-9-5-1-4-8(9)14-11(7)15/h2-3,6H,1,4-5H2,(H3,12,13)
InChIKeyLETJEKICFCZVGO-UHFFFAOYSA-N
XLogP1.11
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene-9-carboximidamide?
The IUPAC name of 1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene-9-carboximidamide (CID 121209415) is 1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene-9-carboximidamide.
What is the SMILES notation for 1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene-9-carboximidamide?
The canonical SMILES for 1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene-9-carboximidamide is [H]/N=C(\N)c1cccn2c3c(nc12)CCC3.
What is the InChIKey of 1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene-9-carboximidamide?
The InChIKey is LETJEKICFCZVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c12-10(13)7-3-2-6-15-9-5-1-4-8(9)14-11(7)15/h2-3,6H,1,4-5H2,(H3,12,13).
What are the key properties of 1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene-9-carboximidamide?
1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene-9-carboximidamide has a molecular weight of 200.25 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene-9-carboximidamide is sourced from PubChem (CID 121209415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).