(1S,7S)-2,3,8-triazatricyclo[5.2.1.02,6]deca-3,5-diene;hydrochloride

C7H10ClN3 — CID 171511426

IUPAC(1S,7S)-2,3,8-triazatricyclo[5.2.1.02,6]deca-3,5-diene;hydrochloride
SMILESCl.c1cc2n(n1)[C@@H]1CN[C@H]2C1
InChIInChI=1S/C7H9N3.ClH/c1-2-9-10-5-3-6(7(1)10)8-4-5;/h1-2,5-6,8H,3-4H2;1H/t5-,6-;/m0./s1
InChIKeyKUQVCDZJAPBGCY-GEMLJDPKSA-N
MW171.63 g/mol
LogP0.89
Rot. Bonds

About (1S,7S)-2,3,8-triazatricyclo[5.2.1.02,6]deca-3,5-diene;hydrochloride

(1S,7S)-2,3,8-triazatricyclo[5.2.1.02,6]deca-3,5-diene;hydrochloride (PubChem CID 171511426) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is (1S,7S)-2,3,8-triazatricyclo[5.2.1.02,6]deca-3,5-diene;hydrochloride.

Molecular Properties

Compound Name(1S,7S)-2,3,8-triazatricyclo[5.2.1.02,6]deca-3,5-diene;hydrochloride
PubChem CID171511426
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name(1S,7S)-2,3,8-triazatricyclo[5.2.1.02,6]deca-3,5-diene;hydrochloride
SMILESCl.c1cc2n(n1)[C@@H]1CN[C@H]2C1
InChIInChI=1S/C7H9N3.ClH/c1-2-9-10-5-3-6(7(1)10)8-4-5;/h1-2,5-6,8H,3-4H2;1H/t5-,6-;/m0./s1
InChIKeyKUQVCDZJAPBGCY-GEMLJDPKSA-N
XLogP0.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,7S)-2,3,8-triazatricyclo[5.2.1.02,6]deca-3,5-diene;hydrochloride 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 (1S,7S)-2,3,8-triazatricyclo[5.2.1.02,6]deca-3,5-diene;hydrochloride?
The IUPAC name of (1S,7S)-2,3,8-triazatricyclo[5.2.1.02,6]deca-3,5-diene;hydrochloride (CID 171511426) is (1S,7S)-2,3,8-triazatricyclo[5.2.1.02,6]deca-3,5-diene;hydrochloride.
What is the SMILES notation for (1S,7S)-2,3,8-triazatricyclo[5.2.1.02,6]deca-3,5-diene;hydrochloride?
The canonical SMILES for (1S,7S)-2,3,8-triazatricyclo[5.2.1.02,6]deca-3,5-diene;hydrochloride is Cl.c1cc2n(n1)[C@@H]1CN[C@H]2C1.
What is the InChIKey of (1S,7S)-2,3,8-triazatricyclo[5.2.1.02,6]deca-3,5-diene;hydrochloride?
The InChIKey is KUQVCDZJAPBGCY-GEMLJDPKSA-N. The full InChI is InChI=1S/C7H9N3.ClH/c1-2-9-10-5-3-6(7(1)10)8-4-5;/h1-2,5-6,8H,3-4H2;1H/t5-,6-;/m0./s1.
What are the key properties of (1S,7S)-2,3,8-triazatricyclo[5.2.1.02,6]deca-3,5-diene;hydrochloride?
(1S,7S)-2,3,8-triazatricyclo[5.2.1.02,6]deca-3,5-diene;hydrochloride has a molecular weight of 171.63 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7S)-2,3,8-triazatricyclo[5.2.1.02,6]deca-3,5-diene;hydrochloride is sourced from PubChem (CID 171511426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).