3-ethyl-4-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperazine-2,6-dione

C10H13N7O4 — CID 80925457

IUPAC3-ethyl-4-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1c1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C10H13N7O4/c1-2-5-10(19)14-6(18)3-16(5)9-7(17(20)21)8(15-11)12-4-13-9/h4-5H,2-3,11H2,1H3,(H,12,13,15)(H,14,18,19)
InChIKeyPJHNAMBMYISRFP-UHFFFAOYSA-N
MW295.26 g/mol
LogP-1.09
Rot. Bonds4

About 3-ethyl-4-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperazine-2,6-dione

3-ethyl-4-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperazine-2,6-dione (PubChem CID 80925457) has the molecular formula C10H13N7O4 and a molecular weight of 295.26 g/mol. Its IUPAC name is 3-ethyl-4-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperazine-2,6-dione
PubChem CID80925457
Molecular FormulaC10H13N7O4
Molecular Weight295.26 g/mol
Exact Mass295.10
IUPAC Name3-ethyl-4-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1c1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C10H13N7O4/c1-2-5-10(19)14-6(18)3-16(5)9-7(17(20)21)8(15-11)12-4-13-9/h4-5H,2-3,11H2,1H3,(H,12,13,15)(H,14,18,19)
InChIKeyPJHNAMBMYISRFP-UHFFFAOYSA-N
XLogP-1.09
TPSA156.38 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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'}

Analyze 3-ethyl-4-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperazine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80851469
[6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
CID 83224307
[6-(4-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
CID 80896386
4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-3-ethylpiperazine-2,6-dione
CID 102762240
4-(6-chloro-5-methylpyrimidin-4-yl)-3-ethylpiperazine-2,6-dione
CID 66067833
1-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 80919325
3-ethyl-4-[3-(methylamino)-2-nitrophenyl]piperazine-2,6-dione
CID 80833167
3-ethyl-4-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)piperazin-2-one
CID 80910440
1-(6-hydrazinyl-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80905129
4-[3-(aminomethyl)-2-pyridinyl]-3-ethylpiperazine-2,6-dione
CID 66068862
6-(2-ethylpyrrolidin-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80793978
6-(2-ethylpiperidin-1-yl)-5-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 23492439

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperazine-2,6-dione?
The IUPAC name of 3-ethyl-4-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperazine-2,6-dione (CID 80925457) is 3-ethyl-4-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-4-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperazine-2,6-dione is CCC1C(=O)NC(=O)CN1c1ncnc(NN)c1[N+](=O)[O-].
What is the InChIKey of 3-ethyl-4-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperazine-2,6-dione?
The InChIKey is PJHNAMBMYISRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O4/c1-2-5-10(19)14-6(18)3-16(5)9-7(17(20)21)8(15-11)12-4-13-9/h4-5H,2-3,11H2,1H3,(H,12,13,15)(H,14,18,19).
What are the key properties of 3-ethyl-4-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperazine-2,6-dione?
3-ethyl-4-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperazine-2,6-dione has a molecular weight of 295.26 g/mol, XLogP of -1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperazine-2,6-dione is sourced from PubChem (CID 80925457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).