7-methyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaen-12-amine

C13H12N4S — CID 25190902

IUPAC7-methyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaen-12-amine
SMILESCc1nc2sc3c(N)ncnc3c2c2c1CCC2
InChIInChI=1S/C13H12N4S/c1-6-7-3-2-4-8(7)9-10-11(18-13(9)17-6)12(14)16-5-15-10/h5H,2-4H2,1H3,(H2,14,15,16)
InChIKeyYMPQZSPOMNODPH-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.62
Rot. Bonds

About 7-methyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaen-12-amine

7-methyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaen-12-amine (PubChem CID 25190902) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 7-methyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaen-12-amine.

Molecular Properties

Compound Name7-methyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaen-12-amine
PubChem CID25190902
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name7-methyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaen-12-amine
SMILESCc1nc2sc3c(N)ncnc3c2c2c1CCC2
InChIInChI=1S/C13H12N4S/c1-6-7-3-2-4-8(7)9-10-11(18-13(9)17-6)12(14)16-5-15-10/h5H,2-4H2,1H3,(H2,14,15,16)
InChIKeyYMPQZSPOMNODPH-UHFFFAOYSA-N
XLogP2.62
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaen-12-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 7-methyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaen-12-amine?
The IUPAC name of 7-methyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaen-12-amine (CID 25190902) is 7-methyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaen-12-amine.
What is the SMILES notation for 7-methyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaen-12-amine?
The canonical SMILES for 7-methyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaen-12-amine is Cc1nc2sc3c(N)ncnc3c2c2c1CCC2.
What is the InChIKey of 7-methyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaen-12-amine?
The InChIKey is YMPQZSPOMNODPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-6-7-3-2-4-8(7)9-10-11(18-13(9)17-6)12(14)16-5-15-10/h5H,2-4H2,1H3,(H2,14,15,16).
What are the key properties of 7-methyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaen-12-amine?
7-methyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaen-12-amine has a molecular weight of 256.33 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaen-12-amine is sourced from PubChem (CID 25190902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).