7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene;hydrochloride

C9H14ClN3 — CID 155858842

IUPAC7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene;hydrochloride
SMILESC1Cc2nn3c(c2C1)CNCC3.Cl
InChIInChI=1S/C9H13N3.ClH/c1-2-7-8(3-1)11-12-5-4-10-6-9(7)12;/h10H,1-6H2;1H
InChIKeyUQBQSWVWSJILSY-UHFFFAOYSA-N
MW199.68 g/mol
LogP0.90
Rot. Bonds

About 7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene;hydrochloride

7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene;hydrochloride (PubChem CID 155858842) has the molecular formula C9H14ClN3 and a molecular weight of 199.68 g/mol. Its IUPAC name is 7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene;hydrochloride.

Molecular Properties

Compound Name7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene;hydrochloride
PubChem CID155858842
Molecular FormulaC9H14ClN3
Molecular Weight199.68 g/mol
Exact Mass199.09
IUPAC Name7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene;hydrochloride
SMILESC1Cc2nn3c(c2C1)CNCC3.Cl
InChIInChI=1S/C9H13N3.ClH/c1-2-7-8(3-1)11-12-5-4-10-6-9(7)12;/h10H,1-6H2;1H
InChIKeyUQBQSWVWSJILSY-UHFFFAOYSA-N
XLogP0.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene;hydrochloride?
The IUPAC name of 7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene;hydrochloride (CID 155858842) is 7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene;hydrochloride.
What is the SMILES notation for 7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene;hydrochloride?
The canonical SMILES for 7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene;hydrochloride is C1Cc2nn3c(c2C1)CNCC3.Cl.
What is the InChIKey of 7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene;hydrochloride?
The InChIKey is UQBQSWVWSJILSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3.ClH/c1-2-7-8(3-1)11-12-5-4-10-6-9(7)12;/h10H,1-6H2;1H.
What are the key properties of 7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene;hydrochloride?
7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene;hydrochloride has a molecular weight of 199.68 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene;hydrochloride is sourced from PubChem (CID 155858842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).