8-methyl-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-amine

C7H5N5S2 — CID 123866958

IUPAC8-methyl-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-amine
SMILESCc1c2c(c(N)c3nsnc13)N=S=N2
InChIInChI=1S/C7H5N5S2/c1-2-4-6(11-13-9-4)3(8)7-5(2)10-14-12-7/h8H2,1H3
InChIKeyRMVJGAVAWJIEOY-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.31
Rot. Bonds

About 8-methyl-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-amine

8-methyl-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-amine (PubChem CID 123866958) has the molecular formula C7H5N5S2 and a molecular weight of 223.29 g/mol. Its IUPAC name is 8-methyl-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-amine.

Molecular Properties

Compound Name8-methyl-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-amine
PubChem CID123866958
Molecular FormulaC7H5N5S2
Molecular Weight223.29 g/mol
Exact Mass223.00
IUPAC Name8-methyl-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-amine
SMILESCc1c2c(c(N)c3nsnc13)N=S=N2
InChIInChI=1S/C7H5N5S2/c1-2-4-6(11-13-9-4)3(8)7-5(2)10-14-12-7/h8H2,1H3
InChIKeyRMVJGAVAWJIEOY-UHFFFAOYSA-N
XLogP2.31
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 8-methyl-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-amine 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 8-methyl-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-amine?
The IUPAC name of 8-methyl-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-amine (CID 123866958) is 8-methyl-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-amine.
What is the SMILES notation for 8-methyl-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-amine?
The canonical SMILES for 8-methyl-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-amine is Cc1c2c(c(N)c3nsnc13)N=S=N2.
What is the InChIKey of 8-methyl-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-amine?
The InChIKey is RMVJGAVAWJIEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5S2/c1-2-4-6(11-13-9-4)3(8)7-5(2)10-14-12-7/h8H2,1H3.
What are the key properties of 8-methyl-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-amine?
8-methyl-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-amine has a molecular weight of 223.29 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-amine is sourced from PubChem (CID 123866958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).