2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene-10,12-diamine

C10H11N5 — CID 10104269

IUPAC2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene-10,12-diamine
SMILESNc1nc(N)c2cc3c(nc2n1)CCC3
InChIInChI=1S/C10H11N5/c11-8-6-4-5-2-1-3-7(5)13-9(6)15-10(12)14-8/h4H,1-3H2,(H4,11,12,13,14,15)
InChIKeyBKWKQFQZAASHJC-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.68
Rot. Bonds

About 2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene-10,12-diamine

2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene-10,12-diamine (PubChem CID 10104269) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene-10,12-diamine.

Molecular Properties

Compound Name2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene-10,12-diamine
PubChem CID10104269
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene-10,12-diamine
SMILESNc1nc(N)c2cc3c(nc2n1)CCC3
InChIInChI=1S/C10H11N5/c11-8-6-4-5-2-1-3-7(5)13-9(6)15-10(12)14-8/h4H,1-3H2,(H4,11,12,13,14,15)
InChIKeyBKWKQFQZAASHJC-UHFFFAOYSA-N
XLogP0.68
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene-10,12-diamine?
The IUPAC name of 2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene-10,12-diamine (CID 10104269) is 2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene-10,12-diamine.
What is the SMILES notation for 2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene-10,12-diamine?
The canonical SMILES for 2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene-10,12-diamine is Nc1nc(N)c2cc3c(nc2n1)CCC3.
What is the InChIKey of 2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene-10,12-diamine?
The InChIKey is BKWKQFQZAASHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c11-8-6-4-5-2-1-3-7(5)13-9(6)15-10(12)14-8/h4H,1-3H2,(H4,11,12,13,14,15).
What are the key properties of 2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene-10,12-diamine?
2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene-10,12-diamine has a molecular weight of 201.23 g/mol, XLogP of 0.68, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),2,7,9,11-pentaene-10,12-diamine is sourced from PubChem (CID 10104269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).