6-(hydrazinylmethyl)-2,3-dihydrophthalazine-1,4-dione

C9H10N4O2 — CID 100989975

IUPAC6-(hydrazinylmethyl)-2,3-dihydrophthalazine-1,4-dione
SMILESNNCc1ccc2c(=O)[nH][nH]c(=O)c2c1
InChIInChI=1S/C9H10N4O2/c10-11-4-5-1-2-6-7(3-5)9(15)13-12-8(6)14/h1-3,11H,4,10H2,(H,12,14)(H,13,15)
InChIKeyDPPXUNDZLAPHJE-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.82
Rot. Bonds2

About 6-(hydrazinylmethyl)-2,3-dihydrophthalazine-1,4-dione

6-(hydrazinylmethyl)-2,3-dihydrophthalazine-1,4-dione (PubChem CID 100989975) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 6-(hydrazinylmethyl)-2,3-dihydrophthalazine-1,4-dione.

Molecular Properties

Compound Name6-(hydrazinylmethyl)-2,3-dihydrophthalazine-1,4-dione
PubChem CID100989975
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name6-(hydrazinylmethyl)-2,3-dihydrophthalazine-1,4-dione
SMILESNNCc1ccc2c(=O)[nH][nH]c(=O)c2c1
InChIInChI=1S/C9H10N4O2/c10-11-4-5-1-2-6-7(3-5)9(15)13-12-8(6)14/h1-3,11H,4,10H2,(H,12,14)(H,13,15)
InChIKeyDPPXUNDZLAPHJE-UHFFFAOYSA-N
XLogP-0.82
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 6-(hydrazinylmethyl)-2,3-dihydrophthalazine-1,4-dione?
The IUPAC name of 6-(hydrazinylmethyl)-2,3-dihydrophthalazine-1,4-dione (CID 100989975) is 6-(hydrazinylmethyl)-2,3-dihydrophthalazine-1,4-dione.
What is the SMILES notation for 6-(hydrazinylmethyl)-2,3-dihydrophthalazine-1,4-dione?
The canonical SMILES for 6-(hydrazinylmethyl)-2,3-dihydrophthalazine-1,4-dione is NNCc1ccc2c(=O)[nH][nH]c(=O)c2c1.
What is the InChIKey of 6-(hydrazinylmethyl)-2,3-dihydrophthalazine-1,4-dione?
The InChIKey is DPPXUNDZLAPHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c10-11-4-5-1-2-6-7(3-5)9(15)13-12-8(6)14/h1-3,11H,4,10H2,(H,12,14)(H,13,15).
What are the key properties of 6-(hydrazinylmethyl)-2,3-dihydrophthalazine-1,4-dione?
6-(hydrazinylmethyl)-2,3-dihydrophthalazine-1,4-dione has a molecular weight of 206.21 g/mol, XLogP of -0.82, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydrazinylmethyl)-2,3-dihydrophthalazine-1,4-dione is sourced from PubChem (CID 100989975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).