6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene-5,11-diamine

C7H5N5S2 — CID 736808

IUPAC6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene-5,11-diamine
SMILESNc1nc2nc3nc(N)sc3cc2s1
InChIInChI=1S/C7H5N5S2/c8-6-11-4-2(13-6)1-3-5(10-4)12-7(9)14-3/h1H,(H4,8,9,10,11,12)
InChIKeyYEXRTWOVQNJHLF-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.47
Rot. Bonds

About 6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene-5,11-diamine

6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene-5,11-diamine (PubChem CID 736808) has the molecular formula C7H5N5S2 and a molecular weight of 223.29 g/mol. Its IUPAC name is 6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene-5,11-diamine.

Molecular Properties

Compound Name6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene-5,11-diamine
PubChem CID736808
Molecular FormulaC7H5N5S2
Molecular Weight223.29 g/mol
Exact Mass223.00
IUPAC Name6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene-5,11-diamine
SMILESNc1nc2nc3nc(N)sc3cc2s1
InChIInChI=1S/C7H5N5S2/c8-6-11-4-2(13-6)1-3-5(10-4)12-7(9)14-3/h1H,(H4,8,9,10,11,12)
InChIKeyYEXRTWOVQNJHLF-UHFFFAOYSA-N
XLogP1.47
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_K(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene-5,11-diamine?
The IUPAC name of 6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene-5,11-diamine (CID 736808) is 6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene-5,11-diamine.
What is the SMILES notation for 6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene-5,11-diamine?
The canonical SMILES for 6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene-5,11-diamine is Nc1nc2nc3nc(N)sc3cc2s1.
What is the InChIKey of 6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene-5,11-diamine?
The InChIKey is YEXRTWOVQNJHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5S2/c8-6-11-4-2(13-6)1-3-5(10-4)12-7(9)14-3/h1H,(H4,8,9,10,11,12).
What are the key properties of 6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene-5,11-diamine?
6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene-5,11-diamine has a molecular weight of 223.29 g/mol, XLogP of 1.47, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene-5,11-diamine is sourced from PubChem (CID 736808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).