3-methyl-4-oxophthalazine-1-carbohydrazide

C10H10N4O2 — CID 604579

IUPAC3-methyl-4-oxophthalazine-1-carbohydrazide
SMILESCn1nc(C(=O)NN)c2ccccc2c1=O
InChIInChI=1S/C10H10N4O2/c1-14-10(16)7-5-3-2-4-6(7)8(13-14)9(15)12-11/h2-5H,11H2,1H3,(H,12,15)
InChIKeySECNNFONKGVTDA-UHFFFAOYSA-N
MW218.22 g/mol
LogP-0.46
Rot. Bonds1

About 3-methyl-4-oxophthalazine-1-carbohydrazide

3-methyl-4-oxophthalazine-1-carbohydrazide (PubChem CID 604579) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 3-methyl-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound Name3-methyl-4-oxophthalazine-1-carbohydrazide
PubChem CID604579
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name3-methyl-4-oxophthalazine-1-carbohydrazide
SMILESCn1nc(C(=O)NN)c2ccccc2c1=O
InChIInChI=1S/C10H10N4O2/c1-14-10(16)7-5-3-2-4-6(7)8(13-14)9(15)12-11/h2-5H,11H2,1H3,(H,12,15)
InChIKeySECNNFONKGVTDA-UHFFFAOYSA-N
XLogP-0.46
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 3-methyl-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of 3-methyl-4-oxophthalazine-1-carbohydrazide (CID 604579) is 3-methyl-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for 3-methyl-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for 3-methyl-4-oxophthalazine-1-carbohydrazide is Cn1nc(C(=O)NN)c2ccccc2c1=O.
What is the InChIKey of 3-methyl-4-oxophthalazine-1-carbohydrazide?
The InChIKey is SECNNFONKGVTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-14-10(16)7-5-3-2-4-6(7)8(13-14)9(15)12-11/h2-5H,11H2,1H3,(H,12,15).
What are the key properties of 3-methyl-4-oxophthalazine-1-carbohydrazide?
3-methyl-4-oxophthalazine-1-carbohydrazide has a molecular weight of 218.22 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 604579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).