2-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)ethanamine

C10H11N5 — CID 58010154

IUPAC2-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)ethanamine
SMILESNCCc1ncc2cnc3[nH]ccc3n12
InChIInChI=1S/C10H11N5/c11-3-1-9-13-5-7-6-14-10-8(15(7)9)2-4-12-10/h2,4-6,12H,1,3,11H2
InChIKeyMVVVJUBHIXONPI-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.71
Rot. Bonds2

About 2-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)ethanamine

2-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)ethanamine (PubChem CID 58010154) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)ethanamine.

Molecular Properties

Compound Name2-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)ethanamine
PubChem CID58010154
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name2-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)ethanamine
SMILESNCCc1ncc2cnc3[nH]ccc3n12
InChIInChI=1S/C10H11N5/c11-3-1-9-13-5-7-6-14-10-8(15(7)9)2-4-12-10/h2,4-6,12H,1,3,11H2
InChIKeyMVVVJUBHIXONPI-UHFFFAOYSA-N
XLogP0.71
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)ethanamine?
The IUPAC name of 2-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)ethanamine (CID 58010154) is 2-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)ethanamine.
What is the SMILES notation for 2-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)ethanamine?
The canonical SMILES for 2-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)ethanamine is NCCc1ncc2cnc3[nH]ccc3n12.
What is the InChIKey of 2-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)ethanamine?
The InChIKey is MVVVJUBHIXONPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c11-3-1-9-13-5-7-6-14-10-8(15(7)9)2-4-12-10/h2,4-6,12H,1,3,11H2.
What are the key properties of 2-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)ethanamine?
2-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)ethanamine has a molecular weight of 201.23 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)ethanamine is sourced from PubChem (CID 58010154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).