3,6-dichloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene

C10H10Cl2N2 — CID 6416107

IUPAC3,6-dichloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
SMILESClc1nnc(Cl)c2c1C1CCC2CC1
InChIInChI=1S/C10H10Cl2N2/c11-9-7-5-1-2-6(4-3-5)8(7)10(12)14-13-9/h5-6H,1-4H2
InChIKeyGZIFYLGNTOAIJJ-UHFFFAOYSA-N
MW229.11 g/mol
LogP3.54
Rot. Bonds

About 3,6-dichloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene

3,6-dichloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene (PubChem CID 6416107) has the molecular formula C10H10Cl2N2 and a molecular weight of 229.11 g/mol. Its IUPAC name is 3,6-dichloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

Compound Name3,6-dichloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
PubChem CID6416107
Molecular FormulaC10H10Cl2N2
Molecular Weight229.11 g/mol
Exact Mass228.02
IUPAC Name3,6-dichloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
SMILESClc1nnc(Cl)c2c1C1CCC2CC1
InChIInChI=1S/C10H10Cl2N2/c11-9-7-5-1-2-6(4-3-5)8(7)10(12)14-13-9/h5-6H,1-4H2
InChIKeyGZIFYLGNTOAIJJ-UHFFFAOYSA-N
XLogP3.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dichloro-5,6,7,8-tetrahydrophthalazine
CID 12622440
3,6-Dichloro-4-(1-fluorobutan-2-yl)-5-propylpyridazine
CID 21281868
3,6-dichloro-4-[(2S)-1-fluorobutan-2-yl]-5-propylpyridazine
CID 88671298
1,4-Dichloro-6,6-difluoro-5,5a,6a,7-tetrahydrocyclopropa[g]phthalazine
CID 155363431
1-Chloro-4-hydrazinyl-5,6,7,8-tetrahydro-5,8-ethanophthalazine
CID 11020558
3,6-Dichloro-4,5-dicyclohexylpyridazine
CID 20225788
1,4-Dichloro-6-methyl-5,6,7,8-tetrahydrophthalazine
CID 21187533
1,4-dichloro-7,7-dimethyl-6,8-dihydro-5H-phthalazine
CID 21187547
4-(2-Adamantyl)-3,6-dichloropyridazine
CID 59363339
4-Isopropyl-1-chloro-5,6,7,8-tetrahydro-5,8-ethanophthalazine
CID 87292593
6-Chloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-3-carbonitrile
CID 88555428
3-Chloro-6-iodo-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
CID 88555429

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene?
The IUPAC name of 3,6-dichloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene (CID 6416107) is 3,6-dichloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene.
What is the SMILES notation for 3,6-dichloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene?
The canonical SMILES for 3,6-dichloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene is Clc1nnc(Cl)c2c1C1CCC2CC1.
What is the InChIKey of 3,6-dichloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene?
The InChIKey is GZIFYLGNTOAIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2/c11-9-7-5-1-2-6(4-3-5)8(7)10(12)14-13-9/h5-6H,1-4H2.
What are the key properties of 3,6-dichloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene?
3,6-dichloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene has a molecular weight of 229.11 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 6416107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).