4-chloro-5-hydrazinyl-2-methyl-6-nitropyridazin-3-one

C5H6ClN5O3 — CID 60919412

IUPAC4-chloro-5-hydrazinyl-2-methyl-6-nitropyridazin-3-one
SMILESCn1nc([N+](=O)[O-])c(NN)c(Cl)c1=O
InChIInChI=1S/C5H6ClN5O3/c1-10-5(12)2(6)3(8-7)4(9-10)11(13)14/h8H,7H2,1H3
InChIKeyDPIKPZICAQYKDE-UHFFFAOYSA-N
MW219.59 g/mol
LogP-0.37
Rot. Bonds2

About 4-chloro-5-hydrazinyl-2-methyl-6-nitropyridazin-3-one

4-chloro-5-hydrazinyl-2-methyl-6-nitropyridazin-3-one (PubChem CID 60919412) has the molecular formula C5H6ClN5O3 and a molecular weight of 219.59 g/mol. Its IUPAC name is 4-chloro-5-hydrazinyl-2-methyl-6-nitropyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-hydrazinyl-2-methyl-6-nitropyridazin-3-one
PubChem CID60919412
Molecular FormulaC5H6ClN5O3
Molecular Weight219.59 g/mol
Exact Mass219.02
IUPAC Name4-chloro-5-hydrazinyl-2-methyl-6-nitropyridazin-3-one
SMILESCn1nc([N+](=O)[O-])c(NN)c(Cl)c1=O
InChIInChI=1S/C5H6ClN5O3/c1-10-5(12)2(6)3(8-7)4(9-10)11(13)14/h8H,7H2,1H3
InChIKeyDPIKPZICAQYKDE-UHFFFAOYSA-N
XLogP-0.37
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.59
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-hydrazinyl-2-methyl-6-nitropyridazin-3-one?
The IUPAC name of 4-chloro-5-hydrazinyl-2-methyl-6-nitropyridazin-3-one (CID 60919412) is 4-chloro-5-hydrazinyl-2-methyl-6-nitropyridazin-3-one.
What is the SMILES notation for 4-chloro-5-hydrazinyl-2-methyl-6-nitropyridazin-3-one?
The canonical SMILES for 4-chloro-5-hydrazinyl-2-methyl-6-nitropyridazin-3-one is Cn1nc([N+](=O)[O-])c(NN)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-hydrazinyl-2-methyl-6-nitropyridazin-3-one?
The InChIKey is DPIKPZICAQYKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN5O3/c1-10-5(12)2(6)3(8-7)4(9-10)11(13)14/h8H,7H2,1H3.
What are the key properties of 4-chloro-5-hydrazinyl-2-methyl-6-nitropyridazin-3-one?
4-chloro-5-hydrazinyl-2-methyl-6-nitropyridazin-3-one has a molecular weight of 219.59 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-hydrazinyl-2-methyl-6-nitropyridazin-3-one is sourced from PubChem (CID 60919412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).