5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-4-ylhydrazine

C9H13N5 — CID 23453900

IUPAC5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-4-ylhydrazine
SMILESNNc1cc2c(nn1)CC1CCC2N1
InChIInChI=1S/C9H13N5/c10-12-9-4-6-7-2-1-5(11-7)3-8(6)13-14-9/h4-5,7,11H,1-3,10H2,(H,12,14)
InChIKeyYRIWLOGYMFRGPC-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.11
Rot. Bonds1

About 5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-4-ylhydrazine

5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-4-ylhydrazine (PubChem CID 23453900) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-4-ylhydrazine.

Molecular Properties

Compound Name5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-4-ylhydrazine
PubChem CID23453900
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-4-ylhydrazine
SMILESNNc1cc2c(nn1)CC1CCC2N1
InChIInChI=1S/C9H13N5/c10-12-9-4-6-7-2-1-5(11-7)3-8(6)13-14-9/h4-5,7,11H,1-3,10H2,(H,12,14)
InChIKeyYRIWLOGYMFRGPC-UHFFFAOYSA-N
XLogP0.11
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-4-ylhydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-4-ylhydrazine?
The IUPAC name of 5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-4-ylhydrazine (CID 23453900) is 5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-4-ylhydrazine.
What is the SMILES notation for 5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-4-ylhydrazine?
The canonical SMILES for 5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-4-ylhydrazine is NNc1cc2c(nn1)CC1CCC2N1.
What is the InChIKey of 5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-4-ylhydrazine?
The InChIKey is YRIWLOGYMFRGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c10-12-9-4-6-7-2-1-5(11-7)3-8(6)13-14-9/h4-5,7,11H,1-3,10H2,(H,12,14).
What are the key properties of 5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-4-ylhydrazine?
5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-4-ylhydrazine has a molecular weight of 191.24 g/mol, XLogP of 0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-4-ylhydrazine is sourced from PubChem (CID 23453900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).