5-amino-12-cyclopentyl-6-(2H-tetrazol-5-yl)-2-oxa-4,11,13-triazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one

C16H14N8O2 — CID 130275269

IUPAC5-amino-12-cyclopentyl-6-(2H-tetrazol-5-yl)-2-oxa-4,11,13-triazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one
SMILESNc1nc2oc3cnc(C4CCCC4)nc3c(=O)c2cc1-c1nn[nH]n1
InChIInChI=1S/C16H14N8O2/c17-13-9(15-21-23-24-22-15)5-8-12(25)11-10(26-16(8)20-13)6-18-14(19-11)7-3-1-2-4-7/h5-7H,1-4H2,(H2,17,20)(H,21,22,23,24)
InChIKeySGLVBFJPARGGNW-UHFFFAOYSA-N
MW350.34 g/mol
LogP1.55
Rot. Bonds2

About 5-amino-12-cyclopentyl-6-(2H-tetrazol-5-yl)-2-oxa-4,11,13-triazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one

5-amino-12-cyclopentyl-6-(2H-tetrazol-5-yl)-2-oxa-4,11,13-triazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one (PubChem CID 130275269) has the molecular formula C16H14N8O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 5-amino-12-cyclopentyl-6-(2H-tetrazol-5-yl)-2-oxa-4,11,13-triazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one.

Molecular Properties

Compound Name5-amino-12-cyclopentyl-6-(2H-tetrazol-5-yl)-2-oxa-4,11,13-triazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one
PubChem CID130275269
Molecular FormulaC16H14N8O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name5-amino-12-cyclopentyl-6-(2H-tetrazol-5-yl)-2-oxa-4,11,13-triazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one
SMILESNc1nc2oc3cnc(C4CCCC4)nc3c(=O)c2cc1-c1nn[nH]n1
InChIInChI=1S/C16H14N8O2/c17-13-9(15-21-23-24-22-15)5-8-12(25)11-10(26-16(8)20-13)6-18-14(19-11)7-3-1-2-4-7/h5-7H,1-4H2,(H2,17,20)(H,21,22,23,24)
InChIKeySGLVBFJPARGGNW-UHFFFAOYSA-N
XLogP1.55
TPSA149.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 5-amino-12-cyclopentyl-6-(2H-tetrazol-5-yl)-2-oxa-4,11,13-triazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-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 5-amino-12-cyclopentyl-6-(2H-tetrazol-5-yl)-2-oxa-4,11,13-triazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one?
The IUPAC name of 5-amino-12-cyclopentyl-6-(2H-tetrazol-5-yl)-2-oxa-4,11,13-triazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one (CID 130275269) is 5-amino-12-cyclopentyl-6-(2H-tetrazol-5-yl)-2-oxa-4,11,13-triazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one.
What is the SMILES notation for 5-amino-12-cyclopentyl-6-(2H-tetrazol-5-yl)-2-oxa-4,11,13-triazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one?
The canonical SMILES for 5-amino-12-cyclopentyl-6-(2H-tetrazol-5-yl)-2-oxa-4,11,13-triazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one is Nc1nc2oc3cnc(C4CCCC4)nc3c(=O)c2cc1-c1nn[nH]n1.
What is the InChIKey of 5-amino-12-cyclopentyl-6-(2H-tetrazol-5-yl)-2-oxa-4,11,13-triazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one?
The InChIKey is SGLVBFJPARGGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8O2/c17-13-9(15-21-23-24-22-15)5-8-12(25)11-10(26-16(8)20-13)6-18-14(19-11)7-3-1-2-4-7/h5-7H,1-4H2,(H2,17,20)(H,21,22,23,24).
What are the key properties of 5-amino-12-cyclopentyl-6-(2H-tetrazol-5-yl)-2-oxa-4,11,13-triazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one?
5-amino-12-cyclopentyl-6-(2H-tetrazol-5-yl)-2-oxa-4,11,13-triazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one has a molecular weight of 350.34 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-12-cyclopentyl-6-(2H-tetrazol-5-yl)-2-oxa-4,11,13-triazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-9-one is sourced from PubChem (CID 130275269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).