6,7-dimethyl-5-(2H-tetrazol-5-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione

C12H12N6O2 — CID 20720168

IUPAC6,7-dimethyl-5-(2H-tetrazol-5-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESCc1cc2[nH]c(=O)c(=O)[nH]c2c(Cc2nn[nH]n2)c1C
InChIInChI=1S/C12H12N6O2/c1-5-3-8-10(14-12(20)11(19)13-8)7(6(5)2)4-9-15-17-18-16-9/h3H,4H2,1-2H3,(H,13,19)(H,14,20)(H,15,16,17,18)
InChIKeyZYXNUDDQMHCZPF-UHFFFAOYSA-N
MW272.27 g/mol
LogP-0.06
Rot. Bonds2

About 6,7-dimethyl-5-(2H-tetrazol-5-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione

6,7-dimethyl-5-(2H-tetrazol-5-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 20720168) has the molecular formula C12H12N6O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is 6,7-dimethyl-5-(2H-tetrazol-5-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6,7-dimethyl-5-(2H-tetrazol-5-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione
PubChem CID20720168
Molecular FormulaC12H12N6O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Name6,7-dimethyl-5-(2H-tetrazol-5-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESCc1cc2[nH]c(=O)c(=O)[nH]c2c(Cc2nn[nH]n2)c1C
InChIInChI=1S/C12H12N6O2/c1-5-3-8-10(14-12(20)11(19)13-8)7(6(5)2)4-9-15-17-18-16-9/h3H,4H2,1-2H3,(H,13,19)(H,14,20)(H,15,16,17,18)
InChIKeyZYXNUDDQMHCZPF-UHFFFAOYSA-N
XLogP-0.06
TPSA120.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-5-(2H-tetrazol-5-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6,7-dimethyl-5-(2H-tetrazol-5-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione (CID 20720168) is 6,7-dimethyl-5-(2H-tetrazol-5-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6,7-dimethyl-5-(2H-tetrazol-5-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6,7-dimethyl-5-(2H-tetrazol-5-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione is Cc1cc2[nH]c(=O)c(=O)[nH]c2c(Cc2nn[nH]n2)c1C.
What is the InChIKey of 6,7-dimethyl-5-(2H-tetrazol-5-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is ZYXNUDDQMHCZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2/c1-5-3-8-10(14-12(20)11(19)13-8)7(6(5)2)4-9-15-17-18-16-9/h3H,4H2,1-2H3,(H,13,19)(H,14,20)(H,15,16,17,18).
What are the key properties of 6,7-dimethyl-5-(2H-tetrazol-5-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione?
6,7-dimethyl-5-(2H-tetrazol-5-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 272.27 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-5-(2H-tetrazol-5-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 20720168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).