2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaen-6-amine

C12H10N2 — CID 70598379

IUPAC2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaen-6-amine
SMILESNC1=C2C/C2=N/c2ccccc2C=C1
InChIInChI=1S/C12H10N2/c13-10-6-5-8-3-1-2-4-11(8)14-12-7-9(10)12/h1-6H,7,13H2/b6-5?,8-5?,10-6?,10-9?,14-11-,14-12-
InChIKeyKTHMZLQBOCENOL-FXIZXPQQSA-N
MW182.23 g/mol
LogP2.40
Rot. Bonds

About 2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaen-6-amine

2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaen-6-amine (PubChem CID 70598379) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaen-6-amine.

Molecular Properties

Compound Name2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaen-6-amine
PubChem CID70598379
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaen-6-amine
SMILESNC1=C2C/C2=N/c2ccccc2C=C1
InChIInChI=1S/C12H10N2/c13-10-6-5-8-3-1-2-4-11(8)14-12-7-9(10)12/h1-6H,7,13H2/b6-5?,8-5?,10-6?,10-9?,14-11-,14-12-
InChIKeyKTHMZLQBOCENOL-FXIZXPQQSA-N
XLogP2.40
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaen-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaen-6-amine?
The IUPAC name of 2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaen-6-amine (CID 70598379) is 2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaen-6-amine.
What is the SMILES notation for 2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaen-6-amine?
The canonical SMILES for 2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaen-6-amine is NC1=C2C/C2=N/c2ccccc2C=C1.
What is the InChIKey of 2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaen-6-amine?
The InChIKey is KTHMZLQBOCENOL-FXIZXPQQSA-N. The full InChI is InChI=1S/C12H10N2/c13-10-6-5-8-3-1-2-4-11(8)14-12-7-9(10)12/h1-6H,7,13H2/b6-5?,8-5?,10-6?,10-9?,14-11-,14-12-.
What are the key properties of 2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaen-6-amine?
2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaen-6-amine has a molecular weight of 182.23 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaen-6-amine is sourced from PubChem (CID 70598379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).