3-(2H-tetrazol-5-yl)-3,4-dihydro-1H-quinoxalin-2-one

C9H8N6O — CID 138404194

IUPAC3-(2H-tetrazol-5-yl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1Nc2ccccc2NC1c1nn[nH]n1
InChIInChI=1S/C9H8N6O/c16-9-7(8-12-14-15-13-8)10-5-3-1-2-4-6(5)11-9/h1-4,7,10H,(H,11,16)(H,12,13,14,15)
InChIKeyNZHYJMQNVLIGSC-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.31
Rot. Bonds1

About 3-(2H-tetrazol-5-yl)-3,4-dihydro-1H-quinoxalin-2-one

3-(2H-tetrazol-5-yl)-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 138404194) has the molecular formula C9H8N6O and a molecular weight of 216.20 g/mol. Its IUPAC name is 3-(2H-tetrazol-5-yl)-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(2H-tetrazol-5-yl)-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID138404194
Molecular FormulaC9H8N6O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name3-(2H-tetrazol-5-yl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1Nc2ccccc2NC1c1nn[nH]n1
InChIInChI=1S/C9H8N6O/c16-9-7(8-12-14-15-13-8)10-5-3-1-2-4-6(5)11-9/h1-4,7,10H,(H,11,16)(H,12,13,14,15)
InChIKeyNZHYJMQNVLIGSC-UHFFFAOYSA-N
XLogP0.31
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazol-5-yl)-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 3-(2H-tetrazol-5-yl)-3,4-dihydro-1H-quinoxalin-2-one (CID 138404194) is 3-(2H-tetrazol-5-yl)-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(2H-tetrazol-5-yl)-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 3-(2H-tetrazol-5-yl)-3,4-dihydro-1H-quinoxalin-2-one is O=C1Nc2ccccc2NC1c1nn[nH]n1.
What is the InChIKey of 3-(2H-tetrazol-5-yl)-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is NZHYJMQNVLIGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O/c16-9-7(8-12-14-15-13-8)10-5-3-1-2-4-6(5)11-9/h1-4,7,10H,(H,11,16)(H,12,13,14,15).
What are the key properties of 3-(2H-tetrazol-5-yl)-3,4-dihydro-1H-quinoxalin-2-one?
3-(2H-tetrazol-5-yl)-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 216.20 g/mol, XLogP of 0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazol-5-yl)-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 138404194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).