2,13-dimethyl-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),2,4,6,8,11-hexaene-5,12-diamine

C11H12N6 — CID 138453983

IUPAC2,13-dimethyl-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),2,4,6,8,11-hexaene-5,12-diamine
SMILESCc1c2nc(N)nc-2ccc2nc(N)n(C)c12
InChIInChI=1S/C11H12N6/c1-5-8-6(14-10(12)16-8)3-4-7-9(5)17(2)11(13)15-7/h3-4H,1-2H3,(H2,13,15)(H2,12,14,16)
InChIKeyDQQICZZFBGDLKE-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.94
Rot. Bonds

About 2,13-dimethyl-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),2,4,6,8,11-hexaene-5,12-diamine

2,13-dimethyl-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),2,4,6,8,11-hexaene-5,12-diamine (PubChem CID 138453983) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 2,13-dimethyl-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),2,4,6,8,11-hexaene-5,12-diamine.

Molecular Properties

Compound Name2,13-dimethyl-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),2,4,6,8,11-hexaene-5,12-diamine
PubChem CID138453983
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name2,13-dimethyl-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),2,4,6,8,11-hexaene-5,12-diamine
SMILESCc1c2nc(N)nc-2ccc2nc(N)n(C)c12
InChIInChI=1S/C11H12N6/c1-5-8-6(14-10(12)16-8)3-4-7-9(5)17(2)11(13)15-7/h3-4H,1-2H3,(H2,13,15)(H2,12,14,16)
InChIKeyDQQICZZFBGDLKE-UHFFFAOYSA-N
XLogP0.94
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,13-dimethyl-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),2,4,6,8,11-hexaene-5,12-diamine with MolForge

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Related Compounds

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ethyl 2-amino-1-methyl-9-oxo-8H-imidazo[4,5-f]quinazoline-7-carboxylate
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CID 72710310

Frequently Asked Questions

What is the IUPAC name of 2,13-dimethyl-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),2,4,6,8,11-hexaene-5,12-diamine?
The IUPAC name of 2,13-dimethyl-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),2,4,6,8,11-hexaene-5,12-diamine (CID 138453983) is 2,13-dimethyl-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),2,4,6,8,11-hexaene-5,12-diamine.
What is the SMILES notation for 2,13-dimethyl-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),2,4,6,8,11-hexaene-5,12-diamine?
The canonical SMILES for 2,13-dimethyl-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),2,4,6,8,11-hexaene-5,12-diamine is Cc1c2nc(N)nc-2ccc2nc(N)n(C)c12.
What is the InChIKey of 2,13-dimethyl-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),2,4,6,8,11-hexaene-5,12-diamine?
The InChIKey is DQQICZZFBGDLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c1-5-8-6(14-10(12)16-8)3-4-7-9(5)17(2)11(13)15-7/h3-4H,1-2H3,(H2,13,15)(H2,12,14,16).
What are the key properties of 2,13-dimethyl-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),2,4,6,8,11-hexaene-5,12-diamine?
2,13-dimethyl-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),2,4,6,8,11-hexaene-5,12-diamine has a molecular weight of 228.26 g/mol, XLogP of 0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,13-dimethyl-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),2,4,6,8,11-hexaene-5,12-diamine is sourced from PubChem (CID 138453983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).