phthalazin-1-ylhydrazine

C8H8N4 — CID 3637

💊View drug profile → hydralazine
IUPACphthalazin-1-ylhydrazine
SMILESNNc1nncc2ccccc12
InChIInChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)
InChIKeyRPTUSVTUFVMDQK-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.92
Rot. Bonds1

About phthalazin-1-ylhydrazine

phthalazin-1-ylhydrazine (PubChem CID 3637) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is phthalazin-1-ylhydrazine.

Molecular Properties

Compound Namephthalazin-1-ylhydrazine
PubChem CID3637
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Namephthalazin-1-ylhydrazine
SMILESNNc1nncc2ccccc12
InChIInChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)
InChIKeyRPTUSVTUFVMDQK-UHFFFAOYSA-N
XLogP0.92
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.92
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

Hydralazine Hydrochloride
CID 9351
Dihydralazine
CID 10230
Todralazine
CID 5501
Phthalazine
CID 9207
Todralazine hydrochloride
CID 19604
Budralazine
CID 2463
Dihydralazine Sulfate
CID 81764
Phthalazine-1,4-diamine
CID 312341
N-methyl-2-(1-phthalazinyl)hydrazinecarbothioamide
CID 2972954
1-(2-Benzylidenehydrazinyl)phthalazine
CID 9603435
N-Benzylidene-N'-(4-chloro-2H-phthalazin-1-ylidene)-hydrazine
CID 6867765
1-(2-Phthalazin-1-ylhydrazino)phthalazine
CID 277728

Frequently Asked Questions

What is the IUPAC name of phthalazin-1-ylhydrazine?
The IUPAC name of phthalazin-1-ylhydrazine (CID 3637) is phthalazin-1-ylhydrazine.
What is the SMILES notation for phthalazin-1-ylhydrazine?
The canonical SMILES for phthalazin-1-ylhydrazine is NNc1nncc2ccccc12.
What is the InChIKey of phthalazin-1-ylhydrazine?
The InChIKey is RPTUSVTUFVMDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12).
What are the key properties of phthalazin-1-ylhydrazine?
phthalazin-1-ylhydrazine has a molecular weight of 160.18 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phthalazin-1-ylhydrazine is sourced from PubChem (CID 3637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).