3-[(6-hydrazinyl-3-pyridinyl)methyl]-2H-phthalazine-1,4-dione

C14H13N5O2 — CID 62245022

IUPAC3-[(6-hydrazinyl-3-pyridinyl)methyl]-2H-phthalazine-1,4-dione
SMILESNNc1ccc(Cn2[nH]c(=O)c3ccccc3c2=O)cn1
InChIInChI=1S/C14H13N5O2/c15-17-12-6-5-9(7-16-12)8-19-14(21)11-4-2-1-3-10(11)13(20)18-19/h1-7H,8,15H2,(H,16,17)(H,18,20)
InChIKeyOVEIYMVFNXVBQQ-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.42
Rot. Bonds3

About 3-[(6-hydrazinyl-3-pyridinyl)methyl]-2H-phthalazine-1,4-dione

3-[(6-hydrazinyl-3-pyridinyl)methyl]-2H-phthalazine-1,4-dione (PubChem CID 62245022) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-3-pyridinyl)methyl]-2H-phthalazine-1,4-dione.

Molecular Properties

Compound Name3-[(6-hydrazinyl-3-pyridinyl)methyl]-2H-phthalazine-1,4-dione
PubChem CID62245022
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name3-[(6-hydrazinyl-3-pyridinyl)methyl]-2H-phthalazine-1,4-dione
SMILESNNc1ccc(Cn2[nH]c(=O)c3ccccc3c2=O)cn1
InChIInChI=1S/C14H13N5O2/c15-17-12-6-5-9(7-16-12)8-19-14(21)11-4-2-1-3-10(11)13(20)18-19/h1-7H,8,15H2,(H,16,17)(H,18,20)
InChIKeyOVEIYMVFNXVBQQ-UHFFFAOYSA-N
XLogP0.42
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 3-[(6-hydrazinyl-3-pyridinyl)methyl]-2H-phthalazine-1,4-dione?
The IUPAC name of 3-[(6-hydrazinyl-3-pyridinyl)methyl]-2H-phthalazine-1,4-dione (CID 62245022) is 3-[(6-hydrazinyl-3-pyridinyl)methyl]-2H-phthalazine-1,4-dione.
What is the SMILES notation for 3-[(6-hydrazinyl-3-pyridinyl)methyl]-2H-phthalazine-1,4-dione?
The canonical SMILES for 3-[(6-hydrazinyl-3-pyridinyl)methyl]-2H-phthalazine-1,4-dione is NNc1ccc(Cn2[nH]c(=O)c3ccccc3c2=O)cn1.
What is the InChIKey of 3-[(6-hydrazinyl-3-pyridinyl)methyl]-2H-phthalazine-1,4-dione?
The InChIKey is OVEIYMVFNXVBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c15-17-12-6-5-9(7-16-12)8-19-14(21)11-4-2-1-3-10(11)13(20)18-19/h1-7H,8,15H2,(H,16,17)(H,18,20).
What are the key properties of 3-[(6-hydrazinyl-3-pyridinyl)methyl]-2H-phthalazine-1,4-dione?
3-[(6-hydrazinyl-3-pyridinyl)methyl]-2H-phthalazine-1,4-dione has a molecular weight of 283.29 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-3-pyridinyl)methyl]-2H-phthalazine-1,4-dione is sourced from PubChem (CID 62245022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).