12-pyridin-3-ylsulfonyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

C14H14N4O2S — CID 91625040

IUPAC12-pyridin-3-ylsulfonyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESO=S(=O)(c1cccnc1)N1C2CCC1c1cncnc1C2
InChIInChI=1S/C14H14N4O2S/c19-21(20,11-2-1-5-15-7-11)18-10-3-4-14(18)12-8-16-9-17-13(12)6-10/h1-2,5,7-10,14H,3-4,6H2
InChIKeyIEKYSIAVMDOZIP-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.32
Rot. Bonds2

About 12-pyridin-3-ylsulfonyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

12-pyridin-3-ylsulfonyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (PubChem CID 91625040) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 12-pyridin-3-ylsulfonyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name12-pyridin-3-ylsulfonyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
PubChem CID91625040
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name12-pyridin-3-ylsulfonyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESO=S(=O)(c1cccnc1)N1C2CCC1c1cncnc1C2
InChIInChI=1S/C14H14N4O2S/c19-21(20,11-2-1-5-15-7-11)18-10-3-4-14(18)12-8-16-9-17-13(12)6-10/h1-2,5,7-10,14H,3-4,6H2
InChIKeyIEKYSIAVMDOZIP-UHFFFAOYSA-N
XLogP1.32
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12-pyridin-3-ylsulfonyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene 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 12-pyridin-3-ylsulfonyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The IUPAC name of 12-pyridin-3-ylsulfonyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (CID 91625040) is 12-pyridin-3-ylsulfonyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for 12-pyridin-3-ylsulfonyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The canonical SMILES for 12-pyridin-3-ylsulfonyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is O=S(=O)(c1cccnc1)N1C2CCC1c1cncnc1C2.
What is the InChIKey of 12-pyridin-3-ylsulfonyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The InChIKey is IEKYSIAVMDOZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c19-21(20,11-2-1-5-15-7-11)18-10-3-4-14(18)12-8-16-9-17-13(12)6-10/h1-2,5,7-10,14H,3-4,6H2.
What are the key properties of 12-pyridin-3-ylsulfonyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
12-pyridin-3-ylsulfonyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene has a molecular weight of 302.36 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-pyridin-3-ylsulfonyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 91625040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).