4-(3-hydrazinyl-2-nitrophenyl)-3,3-dimethylpiperazine-2,6-dione

C12H15N5O4 — CID 80925586

IUPAC4-(3-hydrazinyl-2-nitrophenyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C12H15N5O4/c1-12(2)11(19)14-9(18)6-16(12)8-5-3-4-7(15-13)10(8)17(20)21/h3-5,15H,6,13H2,1-2H3,(H,14,18,19)
InChIKeyCVXMMMSQBHDENW-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.12
Rot. Bonds3

About 4-(3-hydrazinyl-2-nitrophenyl)-3,3-dimethylpiperazine-2,6-dione

4-(3-hydrazinyl-2-nitrophenyl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 80925586) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is 4-(3-hydrazinyl-2-nitrophenyl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-hydrazinyl-2-nitrophenyl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID80925586
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name4-(3-hydrazinyl-2-nitrophenyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C12H15N5O4/c1-12(2)11(19)14-9(18)6-16(12)8-5-3-4-7(15-13)10(8)17(20)21/h3-5,15H,6,13H2,1-2H3,(H,14,18,19)
InChIKeyCVXMMMSQBHDENW-UHFFFAOYSA-N
XLogP0.12
TPSA130.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydrazinyl-2-nitrophenyl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(3-hydrazinyl-2-nitrophenyl)-3,3-dimethylpiperazine-2,6-dione (CID 80925586) is 4-(3-hydrazinyl-2-nitrophenyl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(3-hydrazinyl-2-nitrophenyl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(3-hydrazinyl-2-nitrophenyl)-3,3-dimethylpiperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1c1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 4-(3-hydrazinyl-2-nitrophenyl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is CVXMMMSQBHDENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4/c1-12(2)11(19)14-9(18)6-16(12)8-5-3-4-7(15-13)10(8)17(20)21/h3-5,15H,6,13H2,1-2H3,(H,14,18,19).
What are the key properties of 4-(3-hydrazinyl-2-nitrophenyl)-3,3-dimethylpiperazine-2,6-dione?
4-(3-hydrazinyl-2-nitrophenyl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 293.28 g/mol, XLogP of 0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydrazinyl-2-nitrophenyl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 80925586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).