3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-ylmethanamine

C10H9N5 — CID 103318526

IUPAC3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-ylmethanamine
SMILESNCc1ccnc2c3cccnc3nn12
InChIInChI=1S/C10H9N5/c11-6-7-3-5-13-10-8-2-1-4-12-9(8)14-15(7)10/h1-5H,6,11H2
InChIKeyRVXIWYCEBTVUGD-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.74
Rot. Bonds1

About 3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-ylmethanamine

3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-ylmethanamine (PubChem CID 103318526) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-ylmethanamine.

Molecular Properties

Compound Name3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-ylmethanamine
PubChem CID103318526
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-ylmethanamine
SMILESNCc1ccnc2c3cccnc3nn12
InChIInChI=1S/C10H9N5/c11-6-7-3-5-13-10-8-2-1-4-12-9(8)14-15(7)10/h1-5H,6,11H2
InChIKeyRVXIWYCEBTVUGD-UHFFFAOYSA-N
XLogP0.74
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-ylmethanamine?
The IUPAC name of 3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-ylmethanamine (CID 103318526) is 3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-ylmethanamine.
What is the SMILES notation for 3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-ylmethanamine?
The canonical SMILES for 3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-ylmethanamine is NCc1ccnc2c3cccnc3nn12.
What is the InChIKey of 3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-ylmethanamine?
The InChIKey is RVXIWYCEBTVUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c11-6-7-3-5-13-10-8-2-1-4-12-9(8)14-15(7)10/h1-5H,6,11H2.
What are the key properties of 3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-ylmethanamine?
3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-ylmethanamine has a molecular weight of 199.22 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-ylmethanamine is sourced from PubChem (CID 103318526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).