7-chloro-1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene

C6H3ClN6 — CID 124908977

IUPAC7-chloro-1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
SMILESClc1cc2nncn2c2ncnn12
InChIInChI=1S/C6H3ClN6/c7-4-1-5-11-9-3-12(5)6-8-2-10-13(4)6/h1-3H
InChIKeyWWFNZKIDJSPVAY-UHFFFAOYSA-N
MW194.59 g/mol
LogP0.43
Rot. Bonds

About 7-chloro-1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene

7-chloro-1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene (PubChem CID 124908977) has the molecular formula C6H3ClN6 and a molecular weight of 194.59 g/mol. Its IUPAC name is 7-chloro-1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene.

Molecular Properties

Compound Name7-chloro-1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
PubChem CID124908977
Molecular FormulaC6H3ClN6
Molecular Weight194.59 g/mol
Exact Mass194.01
IUPAC Name7-chloro-1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
SMILESClc1cc2nncn2c2ncnn12
InChIInChI=1S/C6H3ClN6/c7-4-1-5-11-9-3-12(5)6-8-2-10-13(4)6/h1-3H
InChIKeyWWFNZKIDJSPVAY-UHFFFAOYSA-N
XLogP0.43
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.59
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-chloro-1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene with MolForge

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Related Compounds

5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidine
CID 336207
1,3,4,6,10,11-Hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
CID 338139
1,3,5,6,10,11,12-Heptazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
CID 20094933
4-(1-Chloroethenyl)-3-ethenyl-1,2,4-triazole
CID 144630421
1,3,5,6,10,12-Hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
CID 12603845
7-Methyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
CID 15618573
3-Chloro-1,2,4,5,10,11-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene
CID 112488530
1,2,3,5,10,12-Hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene
CID 119098752
1,3,5,6,10,11-Hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-7-ylhydrazine
CID 124907743

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene?
The IUPAC name of 7-chloro-1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene (CID 124908977) is 7-chloro-1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene.
What is the SMILES notation for 7-chloro-1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene?
The canonical SMILES for 7-chloro-1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene is Clc1cc2nncn2c2ncnn12.
What is the InChIKey of 7-chloro-1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene?
The InChIKey is WWFNZKIDJSPVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN6/c7-4-1-5-11-9-3-12(5)6-8-2-10-13(4)6/h1-3H.
What are the key properties of 7-chloro-1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene?
7-chloro-1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene has a molecular weight of 194.59 g/mol, XLogP of 0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene is sourced from PubChem (CID 124908977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).