chlorohydrazine;phthalazine

C8H9ClN4 — CID 133064965

IUPACchlorohydrazine;phthalazine
SMILESNNCl.c1ccc2cnncc2c1
InChIInChI=1S/C8H6N2.ClH3N2/c1-2-4-8-6-10-9-5-7(8)3-1;1-3-2/h1-6H;3H,2H2
InChIKeyIAOROAHTNZYAHV-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.23
Rot. Bonds

About chlorohydrazine;phthalazine

chlorohydrazine;phthalazine (PubChem CID 133064965) has the molecular formula C8H9ClN4 and a molecular weight of 196.64 g/mol. Its IUPAC name is chlorohydrazine;phthalazine.

Molecular Properties

Compound Namechlorohydrazine;phthalazine
PubChem CID133064965
Molecular FormulaC8H9ClN4
Molecular Weight196.64 g/mol
Exact Mass196.05
IUPAC Namechlorohydrazine;phthalazine
SMILESNNCl.c1ccc2cnncc2c1
InChIInChI=1S/C8H6N2.ClH3N2/c1-2-4-8-6-10-9-5-7(8)3-1;1-3-2/h1-6H;3H,2H2
InChIKeyIAOROAHTNZYAHV-UHFFFAOYSA-N
XLogP1.23
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', '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 chlorohydrazine;phthalazine?
The IUPAC name of chlorohydrazine;phthalazine (CID 133064965) is chlorohydrazine;phthalazine.
What is the SMILES notation for chlorohydrazine;phthalazine?
The canonical SMILES for chlorohydrazine;phthalazine is NNCl.c1ccc2cnncc2c1.
What is the InChIKey of chlorohydrazine;phthalazine?
The InChIKey is IAOROAHTNZYAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.ClH3N2/c1-2-4-8-6-10-9-5-7(8)3-1;1-3-2/h1-6H;3H,2H2.
What are the key properties of chlorohydrazine;phthalazine?
chlorohydrazine;phthalazine has a molecular weight of 196.64 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chlorohydrazine;phthalazine is sourced from PubChem (CID 133064965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).