5H-tetrazolo[1,5-a]quinoxalin-4-one

C8H5N5O — CID 2793013

IUPAC5H-tetrazolo[1,5-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccccc2n2nnnc12
InChIInChI=1S/C8H5N5O/c14-8-7-10-11-12-13(7)6-4-2-1-3-5(6)9-8/h1-4H,(H,9,14)
InChIKeySECOVEPJEIBBPV-UHFFFAOYSA-N
MW187.16 g/mol
LogP-0.03
Rot. Bonds

About 5H-tetrazolo[1,5-a]quinoxalin-4-one

5H-tetrazolo[1,5-a]quinoxalin-4-one (PubChem CID 2793013) has the molecular formula C8H5N5O and a molecular weight of 187.16 g/mol. Its IUPAC name is 5H-tetrazolo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name5H-tetrazolo[1,5-a]quinoxalin-4-one
PubChem CID2793013
Molecular FormulaC8H5N5O
Molecular Weight187.16 g/mol
Exact Mass187.05
IUPAC Name5H-tetrazolo[1,5-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccccc2n2nnnc12
InChIInChI=1S/C8H5N5O/c14-8-7-10-11-12-13(7)6-4-2-1-3-5(6)9-8/h1-4H,(H,9,14)
InChIKeySECOVEPJEIBBPV-UHFFFAOYSA-N
XLogP-0.03
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Trifluoromethyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-ol
CID 3843652
(1,2,4)triazolo(1,5-a)quinoxalin-4(5H)-one
CID 10103893
Ethyl 4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 10422626
2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one
CID 44405123
[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one
CID 718266
[1,2,4]Triazolo[1,5-a]quinoxaline-2-carboxylic acid, 4,5-dihydro-4-oxo-
CID 10263231
7-Chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid amide
CID 10754061
7,8-dinitrotetrazolo[1,5-a]quinoxalin-4(5H)-one
CID 10016333
7-nitrotetrazolo[1,5-a]quinoxalin-4(5H)-one
CID 10059800
8-Nitro-5H-1,2,3,5,9b-pentaaza-cyclopenta[a]naphthalen-4-one
CID 10059801
7,8-Dichloro-5H-1,2,3,5,9b-pentaaza-cyclopenta[a]naphthalen-4-one
CID 10244106
4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 11521469

Frequently Asked Questions

What is the IUPAC name of 5H-tetrazolo[1,5-a]quinoxalin-4-one?
The IUPAC name of 5H-tetrazolo[1,5-a]quinoxalin-4-one (CID 2793013) is 5H-tetrazolo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 5H-tetrazolo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 5H-tetrazolo[1,5-a]quinoxalin-4-one is O=c1[nH]c2ccccc2n2nnnc12.
What is the InChIKey of 5H-tetrazolo[1,5-a]quinoxalin-4-one?
The InChIKey is SECOVEPJEIBBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5O/c14-8-7-10-11-12-13(7)6-4-2-1-3-5(6)9-8/h1-4H,(H,9,14).
What are the key properties of 5H-tetrazolo[1,5-a]quinoxalin-4-one?
5H-tetrazolo[1,5-a]quinoxalin-4-one has a molecular weight of 187.16 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-tetrazolo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 2793013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).