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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Related Compounds

5-(2,3-dihydro-1H-inden-2-yl)-2H-tetrazole
CID 65415499
3-(2-oxopropyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 11171721
5-(2,3-dihydro-1H-inden-1-yl)-2H-tetrazole
CID 14662611
3-(2-oxobutyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 71363678
4-pyridin-2-yl-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one
CID 58765347
N-cyclopropyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
CID 71668687
3a,5-dihydro-3H-imidazo[4,5-c]quinoline-2,4-dione
CID 138115458
5,6a,7,10,10a,11-hexahydrobenzo[b][1,4]benzodiazepin-6-one
CID 69466527
2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-[2-[[2-[(2S)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]phenyl]acetamide
CID 1183778
1-[2-oxo-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one
CID 138995695
6-fluoro-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one
CID 76519045
7-bromo-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one
CID 79290898

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).