4-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperazin-2-one

C9H13N7O3 — CID 114045120

IUPAC4-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperazin-2-one
SMILESCc1nc(NN)nc(N2CCNC(=O)C2)c1[N+](=O)[O-]
InChIInChI=1S/C9H13N7O3/c1-5-7(16(18)19)8(13-9(12-5)14-10)15-3-2-11-6(17)4-15/h2-4,10H2,1H3,(H,11,17)(H,12,13,14)
InChIKeyXXLWCUWYUGDKFK-UHFFFAOYSA-N
MW267.25 g/mol
LogP-1.08
Rot. Bonds3

About 4-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperazin-2-one

4-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperazin-2-one (PubChem CID 114045120) has the molecular formula C9H13N7O3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 4-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperazin-2-one
PubChem CID114045120
Molecular FormulaC9H13N7O3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name4-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperazin-2-one
SMILESCc1nc(NN)nc(N2CCNC(=O)C2)c1[N+](=O)[O-]
InChIInChI=1S/C9H13N7O3/c1-5-7(16(18)19)8(13-9(12-5)14-10)15-3-2-11-6(17)4-15/h2-4,10H2,1H3,(H,11,17)(H,12,13,14)
InChIKeyXXLWCUWYUGDKFK-UHFFFAOYSA-N
XLogP-1.08
TPSA139.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

4-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)-1,4-diazepan-2-one
CID 114043344
1-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperidin-4-ol
CID 114045121
4-[6-(methylamino)-5-nitropyrimidin-4-yl]piperazin-2-one
CID 112725374
4-[3-(methylamino)-2-nitrophenyl]piperazin-2-one
CID 80764910
4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperazin-2-one
CID 102762375
4-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperazin-2-one
CID 63734938
4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one
CID 80931369
2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106327651
4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]piperazin-2-one
CID 80763945
4-(6-hydrazinylpyrazin-2-yl)piperazin-2-one
CID 80932982
4-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-2-one
CID 81006346
[4-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitropyrimidin-2-yl]hydrazine
CID 114045260

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperazin-2-one?
The IUPAC name of 4-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperazin-2-one (CID 114045120) is 4-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperazin-2-one.
What is the SMILES notation for 4-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperazin-2-one?
The canonical SMILES for 4-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperazin-2-one is Cc1nc(NN)nc(N2CCNC(=O)C2)c1[N+](=O)[O-].
What is the InChIKey of 4-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperazin-2-one?
The InChIKey is XXLWCUWYUGDKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O3/c1-5-7(16(18)19)8(13-9(12-5)14-10)15-3-2-11-6(17)4-15/h2-4,10H2,1H3,(H,11,17)(H,12,13,14).
What are the key properties of 4-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperazin-2-one?
4-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperazin-2-one has a molecular weight of 267.25 g/mol, XLogP of -1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperazin-2-one is sourced from PubChem (CID 114045120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).