(6-chloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-3-yl)hydrazine

C10H13ClN4 — CID 11020558

IUPAC(6-chloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-3-yl)hydrazine
SMILESNNc1nnc(Cl)c2c1C1CCC2CC1
InChIInChI=1S/C10H13ClN4/c11-9-7-5-1-3-6(4-2-5)8(7)10(13-12)15-14-9/h5-6H,1-4,12H2,(H,13,15)
InChIKeyOKYVDAQDLSUHPJ-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.17
Rot. Bonds1

About (6-chloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-3-yl)hydrazine

(6-chloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-3-yl)hydrazine (PubChem CID 11020558) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is (6-chloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-3-yl)hydrazine.

Molecular Properties

Compound Name(6-chloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-3-yl)hydrazine
PubChem CID11020558
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name(6-chloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-3-yl)hydrazine
SMILESNNc1nnc(Cl)c2c1C1CCC2CC1
InChIInChI=1S/C10H13ClN4/c11-9-7-5-1-3-6(4-2-5)8(7)10(13-12)15-14-9/h5-6H,1-4,12H2,(H,13,15)
InChIKeyOKYVDAQDLSUHPJ-UHFFFAOYSA-N
XLogP2.17
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6-chloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-3-yl)hydrazine 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 (6-chloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-3-yl)hydrazine?
The IUPAC name of (6-chloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-3-yl)hydrazine (CID 11020558) is (6-chloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-3-yl)hydrazine.
What is the SMILES notation for (6-chloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-3-yl)hydrazine?
The canonical SMILES for (6-chloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-3-yl)hydrazine is NNc1nnc(Cl)c2c1C1CCC2CC1.
What is the InChIKey of (6-chloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-3-yl)hydrazine?
The InChIKey is OKYVDAQDLSUHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c11-9-7-5-1-3-6(4-2-5)8(7)10(13-12)15-14-9/h5-6H,1-4,12H2,(H,13,15).
What are the key properties of (6-chloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-3-yl)hydrazine?
(6-chloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-3-yl)hydrazine has a molecular weight of 224.69 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-3-yl)hydrazine is sourced from PubChem (CID 11020558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).