2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-12-ylmethanamine

C10H9N5 — CID 163237515

IUPAC2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-12-ylmethanamine
SMILESNCC1=C2N=CN=C3N=CC=C(C=C1)N32
InChIInChI=1S/C10H9N5/c11-5-7-1-2-8-3-4-12-10-14-6-13-9(7)15(8)10/h1-4,6H,5,11H2
InChIKeyRLZBFUCPFWKXCC-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.39
Rot. Bonds1

About 2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-12-ylmethanamine

2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-12-ylmethanamine (PubChem CID 163237515) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-12-ylmethanamine.

Molecular Properties

Compound Name2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-12-ylmethanamine
PubChem CID163237515
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-12-ylmethanamine
SMILESNCC1=C2N=CN=C3N=CC=C(C=C1)N32
InChIInChI=1S/C10H9N5/c11-5-7-1-2-8-3-4-12-10-14-6-13-9(7)15(8)10/h1-4,6H,5,11H2
InChIKeyRLZBFUCPFWKXCC-UHFFFAOYSA-N
XLogP0.39
TPSA66.34 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 ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-12-ylmethanamine?
The IUPAC name of 2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-12-ylmethanamine (CID 163237515) is 2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-12-ylmethanamine.
What is the SMILES notation for 2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-12-ylmethanamine?
The canonical SMILES for 2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-12-ylmethanamine is NCC1=C2N=CN=C3N=CC=C(C=C1)N32.
What is the InChIKey of 2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-12-ylmethanamine?
The InChIKey is RLZBFUCPFWKXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c11-5-7-1-2-8-3-4-12-10-14-6-13-9(7)15(8)10/h1-4,6H,5,11H2.
What are the key properties of 2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-12-ylmethanamine?
2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-12-ylmethanamine has a molecular weight of 199.22 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,13-tetrazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-12-ylmethanamine is sourced from PubChem (CID 163237515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).