8-(2H-tetrazol-5-yl)-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione

C12H10N6O2 — CID 10199302

IUPAC8-(2H-tetrazol-5-yl)-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc3c(c2[nH]c1=O)CC(c1nn[nH]n1)C3
InChIInChI=1S/C12H10N6O2/c19-11-12(20)14-9-7-4-6(10-15-17-18-16-10)3-5(7)1-2-8(9)13-11/h1-2,6H,3-4H2,(H,13,19)(H,14,20)(H,15,16,17,18)
InChIKeyOGMUMTDMAPKISN-UHFFFAOYSA-N
MW270.25 g/mol
LogP-0.39
Rot. Bonds1

About 8-(2H-tetrazol-5-yl)-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione

8-(2H-tetrazol-5-yl)-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione (PubChem CID 10199302) has the molecular formula C12H10N6O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is 8-(2H-tetrazol-5-yl)-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione.

Molecular Properties

Compound Name8-(2H-tetrazol-5-yl)-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione
PubChem CID10199302
Molecular FormulaC12H10N6O2
Molecular Weight270.25 g/mol
Exact Mass270.09
IUPAC Name8-(2H-tetrazol-5-yl)-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc3c(c2[nH]c1=O)CC(c1nn[nH]n1)C3
InChIInChI=1S/C12H10N6O2/c19-11-12(20)14-9-7-4-6(10-15-17-18-16-10)3-5(7)1-2-8(9)13-11/h1-2,6H,3-4H2,(H,13,19)(H,14,20)(H,15,16,17,18)
InChIKeyOGMUMTDMAPKISN-UHFFFAOYSA-N
XLogP-0.39
TPSA120.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-(2H-tetrazol-5-yl)-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione with MolForge

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Related Compounds

6-nitro-8-(1H-tetrazol-5-yl)-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione
CID 5481204
6,7-dimethyl-4-(2H-tetrazol-5-ylmethyl)-1H-quinoxaline-2,3-dione
CID 44327300
8-(2H-tetrazol-5-ylmethyl)-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione
CID 9838734
6-nitro-8-(2H-tetrazol-5-ylmethyl)-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione
CID 9840423
8-[2-(2H-tetrazol-5-yl)ethyl]-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione
CID 9948181
6-nitro-8-[2-(2H-tetrazol-5-yl)ethyl]-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione
CID 9949972
N-[(6-nitro-2,3-dioxo-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxalin-8-yl)methyl]-2-(2H-tetrazol-5-yl)acetamide
CID 19696255
6-nitro-8-[(2H-tetrazol-5-ylmethylamino)methyl]-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione
CID 19696282
8-[[methyl(2H-tetrazol-5-ylmethyl)amino]methyl]-6-nitro-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione
CID 19696289
6,7-dimethyl-5-[1-(2H-tetrazol-5-ylmethyl)piperidin-2-yl]-1,4-dihydroquinoxaline-2,3-dione
CID 20720165
6,7-dimethyl-5-(2H-tetrazol-5-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 20720168
N-[1-methyl-2-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-5-yl]acetamide
CID 53711243

Frequently Asked Questions

What is the IUPAC name of 8-(2H-tetrazol-5-yl)-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione?
The IUPAC name of 8-(2H-tetrazol-5-yl)-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione (CID 10199302) is 8-(2H-tetrazol-5-yl)-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione.
What is the SMILES notation for 8-(2H-tetrazol-5-yl)-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione?
The canonical SMILES for 8-(2H-tetrazol-5-yl)-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione is O=c1[nH]c2ccc3c(c2[nH]c1=O)CC(c1nn[nH]n1)C3.
What is the InChIKey of 8-(2H-tetrazol-5-yl)-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione?
The InChIKey is OGMUMTDMAPKISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O2/c19-11-12(20)14-9-7-4-6(10-15-17-18-16-10)3-5(7)1-2-8(9)13-11/h1-2,6H,3-4H2,(H,13,19)(H,14,20)(H,15,16,17,18).
What are the key properties of 8-(2H-tetrazol-5-yl)-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione?
8-(2H-tetrazol-5-yl)-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione has a molecular weight of 270.25 g/mol, XLogP of -0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2H-tetrazol-5-yl)-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione is sourced from PubChem (CID 10199302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).