4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-amine

C10H11N3O — CID 63945669

IUPAC4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-amine
SMILESNc1ccc2nc3c(n2c1)COCC3
InChIInChI=1S/C10H11N3O/c11-7-1-2-10-12-8-3-4-14-6-9(8)13(10)5-7/h1-2,5H,3-4,6,11H2
InChIKeyNAHJRMBWENHPKQ-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.99
Rot. Bonds

About 4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-amine

4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-amine (PubChem CID 63945669) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-amine.

Molecular Properties

Compound Name4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-amine
PubChem CID63945669
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-amine
SMILESNc1ccc2nc3c(n2c1)COCC3
InChIInChI=1S/C10H11N3O/c11-7-1-2-10-12-8-3-4-14-6-9(8)13(10)5-7/h1-2,5H,3-4,6,11H2
InChIKeyNAHJRMBWENHPKQ-UHFFFAOYSA-N
XLogP0.99
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-amine 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 4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-amine?
The IUPAC name of 4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-amine (CID 63945669) is 4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-amine.
What is the SMILES notation for 4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-amine?
The canonical SMILES for 4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-amine is Nc1ccc2nc3c(n2c1)COCC3.
What is the InChIKey of 4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-amine?
The InChIKey is NAHJRMBWENHPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-7-1-2-10-12-8-3-4-14-6-9(8)13(10)5-7/h1-2,5H,3-4,6,11H2.
What are the key properties of 4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-amine?
4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-amine has a molecular weight of 189.22 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-amine is sourced from PubChem (CID 63945669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).