N-[(Z)-ethylideneamino]-N-(4H-pyridazin-1-ylsulfanyl)ethenamine

C8H12N4S — CID 155130355

IUPACN-[(Z)-ethylideneamino]-N-(4H-pyridazin-1-ylsulfanyl)ethenamine
SMILESC=CN(/N=C\C)SN1C=CCC=N1
InChIInChI=1S/C8H12N4S/c1-3-9-11(4-2)13-12-8-6-5-7-10-12/h3-4,6-8H,2,5H2,1H3/b9-3-
InChIKeyDBZRUKMKNWRNBQ-OQFOIZHKSA-N
MW196.28 g/mol
LogP2.21
Rot. Bonds4

About N-[(Z)-ethylideneamino]-N-(4H-pyridazin-1-ylsulfanyl)ethenamine

N-[(Z)-ethylideneamino]-N-(4H-pyridazin-1-ylsulfanyl)ethenamine (PubChem CID 155130355) has the molecular formula C8H12N4S and a molecular weight of 196.28 g/mol. Its IUPAC name is N-[(Z)-ethylideneamino]-N-(4H-pyridazin-1-ylsulfanyl)ethenamine.

Molecular Properties

Compound NameN-[(Z)-ethylideneamino]-N-(4H-pyridazin-1-ylsulfanyl)ethenamine
PubChem CID155130355
Molecular FormulaC8H12N4S
Molecular Weight196.28 g/mol
Exact Mass196.08
IUPAC NameN-[(Z)-ethylideneamino]-N-(4H-pyridazin-1-ylsulfanyl)ethenamine
SMILESC=CN(/N=C\C)SN1C=CCC=N1
InChIInChI=1S/C8H12N4S/c1-3-9-11(4-2)13-12-8-6-5-7-10-12/h3-4,6-8H,2,5H2,1H3/b9-3-
InChIKeyDBZRUKMKNWRNBQ-OQFOIZHKSA-N
XLogP2.21
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-ethylideneamino]-N-(4H-pyridazin-1-ylsulfanyl)ethenamine?
The IUPAC name of N-[(Z)-ethylideneamino]-N-(4H-pyridazin-1-ylsulfanyl)ethenamine (CID 155130355) is N-[(Z)-ethylideneamino]-N-(4H-pyridazin-1-ylsulfanyl)ethenamine.
What is the SMILES notation for N-[(Z)-ethylideneamino]-N-(4H-pyridazin-1-ylsulfanyl)ethenamine?
The canonical SMILES for N-[(Z)-ethylideneamino]-N-(4H-pyridazin-1-ylsulfanyl)ethenamine is C=CN(/N=C\C)SN1C=CCC=N1.
What is the InChIKey of N-[(Z)-ethylideneamino]-N-(4H-pyridazin-1-ylsulfanyl)ethenamine?
The InChIKey is DBZRUKMKNWRNBQ-OQFOIZHKSA-N. The full InChI is InChI=1S/C8H12N4S/c1-3-9-11(4-2)13-12-8-6-5-7-10-12/h3-4,6-8H,2,5H2,1H3/b9-3-.
What are the key properties of N-[(Z)-ethylideneamino]-N-(4H-pyridazin-1-ylsulfanyl)ethenamine?
N-[(Z)-ethylideneamino]-N-(4H-pyridazin-1-ylsulfanyl)ethenamine has a molecular weight of 196.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-ethylideneamino]-N-(4H-pyridazin-1-ylsulfanyl)ethenamine is sourced from PubChem (CID 155130355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).