3-hydrazinylspiro[5,8-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazine-6,9'-fluorene]-7-one

C16H13N7O — CID 135496374

IUPAC3-hydrazinylspiro[5,8-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazine-6,9'-fluorene]-7-one
SMILESNNc1nnc2n1NC1(C(=O)N2)c2ccccc2-c2ccccc21
InChIInChI=1S/C16H13N7O/c17-19-15-21-20-14-18-13(24)16(22-23(14)15)11-7-3-1-5-9(11)10-6-2-4-8-12(10)16/h1-8,22H,17H2,(H,19,21)(H,18,20,24)
InChIKeyUFRIKGRSJOVWSH-UHFFFAOYSA-N
MW319.33 g/mol
LogP0.98
Rot. Bonds1

About 3-hydrazinylspiro[5,8-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazine-6,9'-fluorene]-7-one

3-hydrazinylspiro[5,8-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazine-6,9'-fluorene]-7-one (PubChem CID 135496374) has the molecular formula C16H13N7O and a molecular weight of 319.33 g/mol. Its IUPAC name is 3-hydrazinylspiro[5,8-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazine-6,9'-fluorene]-7-one.

Molecular Properties

Compound Name3-hydrazinylspiro[5,8-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazine-6,9'-fluorene]-7-one
PubChem CID135496374
Molecular FormulaC16H13N7O
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name3-hydrazinylspiro[5,8-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazine-6,9'-fluorene]-7-one
SMILESNNc1nnc2n1NC1(C(=O)N2)c2ccccc2-c2ccccc21
InChIInChI=1S/C16H13N7O/c17-19-15-21-20-14-18-13(24)16(22-23(14)15)11-7-3-1-5-9(11)10-6-2-4-8-12(10)16/h1-8,22H,17H2,(H,19,21)(H,18,20,24)
InChIKeyUFRIKGRSJOVWSH-UHFFFAOYSA-N
XLogP0.98
TPSA109.89 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 135462429
CID 135462429
3-[(5-oxospiro[1,4-dihydro-1,2,4-triazine-6,9'-fluorene]-3-yl)disulfanyl]spiro[1,4-dihydro-1,2,4-triazine-6,9'-fluorene]-5-one
CID 135409126
4-methylspiro[fluorene-9,5'-imidazolidine]-2',4'-dione
CID 158182679
(2E)-2-[(4-chlorophenyl)methylidene]spiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3,7-dione
CID 10433543
(3Z)-3-(fluoren-9-ylidenehydrazinylidene)spiro[1,2,4-triazinane-6,9'-fluorene]-5-one
CID 137269443
spiro[1,3-dihydroindene-2,4'-isoquinoline]-1',3'-dione
CID 44725575
2,4-difluorospiro[fluorene-9,5'-imidazolidine]-2',4'-dione
CID 138496482
spiro[1,3-thiazolidine-5,9'-fluorene]-2,4-dione
CID 14075043
3-[9-(3-amino-3-oxopropyl)fluoren-9-yl]propanamide
CID 156840120
(4R)-1'-aminospiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone
CID 67871540
1'-aminospiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone
CID 67592363
1-[(5-oxospiro[1,4-dihydro-1,2,4-triazine-6,9'-fluorene]-3-yl)amino]-3-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 135409207

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinylspiro[5,8-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazine-6,9'-fluorene]-7-one?
The IUPAC name of 3-hydrazinylspiro[5,8-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazine-6,9'-fluorene]-7-one (CID 135496374) is 3-hydrazinylspiro[5,8-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazine-6,9'-fluorene]-7-one.
What is the SMILES notation for 3-hydrazinylspiro[5,8-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazine-6,9'-fluorene]-7-one?
The canonical SMILES for 3-hydrazinylspiro[5,8-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazine-6,9'-fluorene]-7-one is NNc1nnc2n1NC1(C(=O)N2)c2ccccc2-c2ccccc21.
What is the InChIKey of 3-hydrazinylspiro[5,8-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazine-6,9'-fluorene]-7-one?
The InChIKey is UFRIKGRSJOVWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O/c17-19-15-21-20-14-18-13(24)16(22-23(14)15)11-7-3-1-5-9(11)10-6-2-4-8-12(10)16/h1-8,22H,17H2,(H,19,21)(H,18,20,24).
What are the key properties of 3-hydrazinylspiro[5,8-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazine-6,9'-fluorene]-7-one?
3-hydrazinylspiro[5,8-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazine-6,9'-fluorene]-7-one has a molecular weight of 319.33 g/mol, XLogP of 0.98, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinylspiro[5,8-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazine-6,9'-fluorene]-7-one is sourced from PubChem (CID 135496374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).