5-hydrazinyl-2-azabicyclo[4.1.0]hepta-1,3,5-trien-7-one

C6H5N3O — CID 146285501

IUPAC5-hydrazinyl-2-azabicyclo[4.1.0]hepta-1,3,5-trien-7-one
SMILESNNc1ccnc2c(=O)c12
InChIInChI=1S/C6H5N3O/c7-9-3-1-2-8-5-4(3)6(5)10/h1-2H,7H2,(H,8,9)
InChIKeyUULPHFJMIURRTO-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.24
Rot. Bonds1

About 5-hydrazinyl-2-azabicyclo[4.1.0]hepta-1,3,5-trien-7-one

5-hydrazinyl-2-azabicyclo[4.1.0]hepta-1,3,5-trien-7-one (PubChem CID 146285501) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 5-hydrazinyl-2-azabicyclo[4.1.0]hepta-1,3,5-trien-7-one.

Molecular Properties

Compound Name5-hydrazinyl-2-azabicyclo[4.1.0]hepta-1,3,5-trien-7-one
PubChem CID146285501
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name5-hydrazinyl-2-azabicyclo[4.1.0]hepta-1,3,5-trien-7-one
SMILESNNc1ccnc2c(=O)c12
InChIInChI=1S/C6H5N3O/c7-9-3-1-2-8-5-4(3)6(5)10/h1-2H,7H2,(H,8,9)
InChIKeyUULPHFJMIURRTO-UHFFFAOYSA-N
XLogP-0.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(8-chloro-5-iodoquinolin-4-yl)hydrazine
CID 130499502
(5-bromo-8-chloroquinolin-4-yl)hydrazine
CID 62910283
(6-bromo-5,8-difluoroquinolin-4-yl)hydrazine
CID 107616888
(8-chloro-5-methoxyquinolin-4-yl)hydrazine
CID 62250113
benzo[h]quinolin-10-ylhydrazine
CID 126501298
(3-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)hydrazine
CID 165474233
(8-chloroquinolin-4-yl)hydrazine;hydrochloride
CID 43865977
(5,7-dimethyl-1,8-naphthyridin-4-yl)hydrazine
CID 55280218
(6-bromo-7,8-dichloroquinolin-4-yl)hydrazine
CID 107794008
(8-chloro-6-methylquinolin-4-yl)hydrazine
CID 17040053
3-hydrazinylpyridin-2-amine;molecular hydrogen
CID 143942730
(3-bromo-2-methoxy-4-pyridinyl)hydrazine
CID 146279469

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-2-azabicyclo[4.1.0]hepta-1,3,5-trien-7-one?
The IUPAC name of 5-hydrazinyl-2-azabicyclo[4.1.0]hepta-1,3,5-trien-7-one (CID 146285501) is 5-hydrazinyl-2-azabicyclo[4.1.0]hepta-1,3,5-trien-7-one.
What is the SMILES notation for 5-hydrazinyl-2-azabicyclo[4.1.0]hepta-1,3,5-trien-7-one?
The canonical SMILES for 5-hydrazinyl-2-azabicyclo[4.1.0]hepta-1,3,5-trien-7-one is NNc1ccnc2c(=O)c12.
What is the InChIKey of 5-hydrazinyl-2-azabicyclo[4.1.0]hepta-1,3,5-trien-7-one?
The InChIKey is UULPHFJMIURRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c7-9-3-1-2-8-5-4(3)6(5)10/h1-2H,7H2,(H,8,9).
What are the key properties of 5-hydrazinyl-2-azabicyclo[4.1.0]hepta-1,3,5-trien-7-one?
5-hydrazinyl-2-azabicyclo[4.1.0]hepta-1,3,5-trien-7-one has a molecular weight of 135.13 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-2-azabicyclo[4.1.0]hepta-1,3,5-trien-7-one is sourced from PubChem (CID 146285501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).