N,12-dimethyl-4-methylsulfanyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine

C10H11N5S2 — CID 11448486

IUPACN,12-dimethyl-4-methylsulfanyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
SMILESCNc1nc2sc(SC)nc2c2c1ncn2C
InChIInChI=1S/C10H11N5S2/c1-11-8-5-7(15(2)4-12-5)6-9(14-8)17-10(13-6)16-3/h4H,1-3H3,(H,11,14)
InChIKeyYFOQLWYTRVQHIZ-UHFFFAOYSA-N
MW265.37 g/mol
LogP2.34
Rot. Bonds2

About N,12-dimethyl-4-methylsulfanyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine

N,12-dimethyl-4-methylsulfanyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine (PubChem CID 11448486) has the molecular formula C10H11N5S2 and a molecular weight of 265.37 g/mol. Its IUPAC name is N,12-dimethyl-4-methylsulfanyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine.

Molecular Properties

Compound NameN,12-dimethyl-4-methylsulfanyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
PubChem CID11448486
Molecular FormulaC10H11N5S2
Molecular Weight265.37 g/mol
Exact Mass265.05
IUPAC NameN,12-dimethyl-4-methylsulfanyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
SMILESCNc1nc2sc(SC)nc2c2c1ncn2C
InChIInChI=1S/C10H11N5S2/c1-11-8-5-7(15(2)4-12-5)6-9(14-8)17-10(13-6)16-3/h4H,1-3H3,(H,11,14)
InChIKeyYFOQLWYTRVQHIZ-UHFFFAOYSA-N
XLogP2.34
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,12-dimethyl-4-methylsulfanyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-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 N,12-dimethyl-4-methylsulfanyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine?
The IUPAC name of N,12-dimethyl-4-methylsulfanyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine (CID 11448486) is N,12-dimethyl-4-methylsulfanyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine.
What is the SMILES notation for N,12-dimethyl-4-methylsulfanyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine?
The canonical SMILES for N,12-dimethyl-4-methylsulfanyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine is CNc1nc2sc(SC)nc2c2c1ncn2C.
What is the InChIKey of N,12-dimethyl-4-methylsulfanyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine?
The InChIKey is YFOQLWYTRVQHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S2/c1-11-8-5-7(15(2)4-12-5)6-9(14-8)17-10(13-6)16-3/h4H,1-3H3,(H,11,14).
What are the key properties of N,12-dimethyl-4-methylsulfanyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine?
N,12-dimethyl-4-methylsulfanyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine has a molecular weight of 265.37 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,12-dimethyl-4-methylsulfanyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine is sourced from PubChem (CID 11448486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).