8-[[methyl(2H-tetrazol-5-ylmethyl)amino]methyl]-6-nitro-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione

C15H16N8O4 — CID 19696289

IUPAC8-[[methyl(2H-tetrazol-5-ylmethyl)amino]methyl]-6-nitro-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione
SMILESCN(Cc1nn[nH]n1)CC1Cc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1
InChIInChI=1S/C15H16N8O4/c1-22(6-12-18-20-21-19-12)5-7-2-8-9(3-7)13-10(4-11(8)23(26)27)16-14(24)15(25)17-13/h4,7H,2-3,5-6H2,1H3,(H,16,24)(H,17,25)(H,18,19,20,21)
InChIKeyOGSXIAYMWHOUDF-UHFFFAOYSA-N
MW372.35 g/mol
LogP-0.52
Rot. Bonds5

About 8-[[methyl(2H-tetrazol-5-ylmethyl)amino]methyl]-6-nitro-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione

8-[[methyl(2H-tetrazol-5-ylmethyl)amino]methyl]-6-nitro-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione (PubChem CID 19696289) has the molecular formula C15H16N8O4 and a molecular weight of 372.35 g/mol. Its IUPAC name is 8-[[methyl(2H-tetrazol-5-ylmethyl)amino]methyl]-6-nitro-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione.

Molecular Properties

Compound Name8-[[methyl(2H-tetrazol-5-ylmethyl)amino]methyl]-6-nitro-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione
PubChem CID19696289
Molecular FormulaC15H16N8O4
Molecular Weight372.35 g/mol
Exact Mass372.13
IUPAC Name8-[[methyl(2H-tetrazol-5-ylmethyl)amino]methyl]-6-nitro-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione
SMILESCN(Cc1nn[nH]n1)CC1Cc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1
InChIInChI=1S/C15H16N8O4/c1-22(6-12-18-20-21-19-12)5-7-2-8-9(3-7)13-10(4-11(8)23(26)27)16-14(24)15(25)17-13/h4,7H,2-3,5-6H2,1H3,(H,16,24)(H,17,25)(H,18,19,20,21)
InChIKeyOGSXIAYMWHOUDF-UHFFFAOYSA-N
XLogP-0.52
TPSA166.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 8-[[methyl(2H-tetrazol-5-ylmethyl)amino]methyl]-6-nitro-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione 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 8-[[methyl(2H-tetrazol-5-ylmethyl)amino]methyl]-6-nitro-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione?
The IUPAC name of 8-[[methyl(2H-tetrazol-5-ylmethyl)amino]methyl]-6-nitro-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione (CID 19696289) is 8-[[methyl(2H-tetrazol-5-ylmethyl)amino]methyl]-6-nitro-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione.
What is the SMILES notation for 8-[[methyl(2H-tetrazol-5-ylmethyl)amino]methyl]-6-nitro-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione?
The canonical SMILES for 8-[[methyl(2H-tetrazol-5-ylmethyl)amino]methyl]-6-nitro-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione is CN(Cc1nn[nH]n1)CC1Cc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1.
What is the InChIKey of 8-[[methyl(2H-tetrazol-5-ylmethyl)amino]methyl]-6-nitro-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione?
The InChIKey is OGSXIAYMWHOUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8O4/c1-22(6-12-18-20-21-19-12)5-7-2-8-9(3-7)13-10(4-11(8)23(26)27)16-14(24)15(25)17-13/h4,7H,2-3,5-6H2,1H3,(H,16,24)(H,17,25)(H,18,19,20,21).
What are the key properties of 8-[[methyl(2H-tetrazol-5-ylmethyl)amino]methyl]-6-nitro-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione?
8-[[methyl(2H-tetrazol-5-ylmethyl)amino]methyl]-6-nitro-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione has a molecular weight of 372.35 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[methyl(2H-tetrazol-5-ylmethyl)amino]methyl]-6-nitro-4,7,8,9-tetrahydro-1H-cyclopenta[f]quinoxaline-2,3-dione is sourced from PubChem (CID 19696289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).