14-oxa-3,4,13-triazatricyclo[7.3.1.12,5]tetradeca-1(12),2,4,9(13),10-pentaene

C10H9N3O — CID 163539764

IUPAC14-oxa-3,4,13-triazatricyclo[7.3.1.12,5]tetradeca-1(12),2,4,9(13),10-pentaene
SMILESc1cc2nc(c1)-c1nnc(o1)CCC2
InChIInChI=1S/C10H9N3O/c1-3-7-4-2-6-9-12-13-10(14-9)8(5-1)11-7/h1,3,5H,2,4,6H2
InChIKeyBNLDNPWQHUTMSG-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.62
Rot. Bonds

About 14-oxa-3,4,13-triazatricyclo[7.3.1.12,5]tetradeca-1(12),2,4,9(13),10-pentaene

14-oxa-3,4,13-triazatricyclo[7.3.1.12,5]tetradeca-1(12),2,4,9(13),10-pentaene (PubChem CID 163539764) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 14-oxa-3,4,13-triazatricyclo[7.3.1.12,5]tetradeca-1(12),2,4,9(13),10-pentaene.

Molecular Properties

Compound Name14-oxa-3,4,13-triazatricyclo[7.3.1.12,5]tetradeca-1(12),2,4,9(13),10-pentaene
PubChem CID163539764
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name14-oxa-3,4,13-triazatricyclo[7.3.1.12,5]tetradeca-1(12),2,4,9(13),10-pentaene
SMILESc1cc2nc(c1)-c1nnc(o1)CCC2
InChIInChI=1S/C10H9N3O/c1-3-7-4-2-6-9-12-13-10(14-9)8(5-1)11-7/h1,3,5H,2,4,6H2
InChIKeyBNLDNPWQHUTMSG-UHFFFAOYSA-N
XLogP1.62
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-oxa-3,4,13-triazatricyclo[7.3.1.12,5]tetradeca-1(12),2,4,9(13),10-pentaene 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 14-oxa-3,4,13-triazatricyclo[7.3.1.12,5]tetradeca-1(12),2,4,9(13),10-pentaene?
The IUPAC name of 14-oxa-3,4,13-triazatricyclo[7.3.1.12,5]tetradeca-1(12),2,4,9(13),10-pentaene (CID 163539764) is 14-oxa-3,4,13-triazatricyclo[7.3.1.12,5]tetradeca-1(12),2,4,9(13),10-pentaene.
What is the SMILES notation for 14-oxa-3,4,13-triazatricyclo[7.3.1.12,5]tetradeca-1(12),2,4,9(13),10-pentaene?
The canonical SMILES for 14-oxa-3,4,13-triazatricyclo[7.3.1.12,5]tetradeca-1(12),2,4,9(13),10-pentaene is c1cc2nc(c1)-c1nnc(o1)CCC2.
What is the InChIKey of 14-oxa-3,4,13-triazatricyclo[7.3.1.12,5]tetradeca-1(12),2,4,9(13),10-pentaene?
The InChIKey is BNLDNPWQHUTMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-3-7-4-2-6-9-12-13-10(14-9)8(5-1)11-7/h1,3,5H,2,4,6H2.
What are the key properties of 14-oxa-3,4,13-triazatricyclo[7.3.1.12,5]tetradeca-1(12),2,4,9(13),10-pentaene?
14-oxa-3,4,13-triazatricyclo[7.3.1.12,5]tetradeca-1(12),2,4,9(13),10-pentaene has a molecular weight of 187.20 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxa-3,4,13-triazatricyclo[7.3.1.12,5]tetradeca-1(12),2,4,9(13),10-pentaene is sourced from PubChem (CID 163539764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).