(7S)-12-amino-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one

C11H14N4O — CID 177261757

IUPAC(7S)-12-amino-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one
SMILESNc1ccc2c(n1)NC(=O)[C@@H]1CCCN1C2
InChIInChI=1S/C11H14N4O/c12-9-4-3-7-6-15-5-1-2-8(15)11(16)14-10(7)13-9/h3-4,8H,1-2,5-6H2,(H3,12,13,14,16)/t8-/m0/s1
InChIKeyHYFWXBKOHRMCNL-QMMMGPOBSA-N
MW218.26 g/mol
LogP0.58
Rot. Bonds

About (7S)-12-amino-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one

(7S)-12-amino-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one (PubChem CID 177261757) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is (7S)-12-amino-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one.

Molecular Properties

Compound Name(7S)-12-amino-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one
PubChem CID177261757
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name(7S)-12-amino-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one
SMILESNc1ccc2c(n1)NC(=O)[C@@H]1CCCN1C2
InChIInChI=1S/C11H14N4O/c12-9-4-3-7-6-15-5-1-2-8(15)11(16)14-10(7)13-9/h3-4,8H,1-2,5-6H2,(H3,12,13,14,16)/t8-/m0/s1
InChIKeyHYFWXBKOHRMCNL-QMMMGPOBSA-N
XLogP0.58
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (7S)-12-amino-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7S)-12-amino-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one?
The IUPAC name of (7S)-12-amino-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one (CID 177261757) is (7S)-12-amino-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one.
What is the SMILES notation for (7S)-12-amino-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one?
The canonical SMILES for (7S)-12-amino-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one is Nc1ccc2c(n1)NC(=O)[C@@H]1CCCN1C2.
What is the InChIKey of (7S)-12-amino-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one?
The InChIKey is HYFWXBKOHRMCNL-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N4O/c12-9-4-3-7-6-15-5-1-2-8(15)11(16)14-10(7)13-9/h3-4,8H,1-2,5-6H2,(H3,12,13,14,16)/t8-/m0/s1.
What are the key properties of (7S)-12-amino-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one?
(7S)-12-amino-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one has a molecular weight of 218.26 g/mol, XLogP of 0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-12-amino-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one is sourced from PubChem (CID 177261757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).