N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methoxybenzohydrazide

C12H13N7O4 — CID 22534718

IUPACN'-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)NNc1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C12H13N7O4/c1-23-8-5-3-2-4-7(8)12(20)18-17-11-9(19(21)22)10(16-13)14-6-15-11/h2-6H,13H2,1H3,(H,18,20)(H2,14,15,16,17)
InChIKeyYPCUMGMDLNNJGM-UHFFFAOYSA-N
MW319.28 g/mol
LogP0.44
Rot. Bonds6

About N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methoxybenzohydrazide

N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methoxybenzohydrazide (PubChem CID 22534718) has the molecular formula C12H13N7O4 and a molecular weight of 319.28 g/mol. Its IUPAC name is N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methoxybenzohydrazide
PubChem CID22534718
Molecular FormulaC12H13N7O4
Molecular Weight319.28 g/mol
Exact Mass319.10
IUPAC NameN'-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)NNc1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C12H13N7O4/c1-23-8-5-3-2-4-7(8)12(20)18-17-11-9(19(21)22)10(16-13)14-6-15-11/h2-6H,13H2,1H3,(H,18,20)(H2,14,15,16,17)
InChIKeyYPCUMGMDLNNJGM-UHFFFAOYSA-N
XLogP0.44
TPSA157.33 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 50.44
H-Bond Donors ≤ 54
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'}

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Related Compounds

2-methoxy-N'-[5-nitro-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22536099
N'-[6-(4-chloroanilino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
CID 22532973
N'-[6-(2,5-dimethoxyanilino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
CID 23494833
2-methoxy-N'-[5-nitro-6-(pyridin-3-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22527990
2-methoxy-N'-[6-[(4-methylphenyl)methylamino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 22534624
2-methoxy-N'-[5-nitro-6-[2-[2-(4-nitrophenyl)acetyl]hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22536096
2-methoxy-N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 23480902
2-methoxy-N'-[5-nitro-6-(2-phenylethylamino)pyrimidin-4-yl]benzohydrazide
CID 23489984
N'-[6-(4-ethylanilino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
CID 23482939
N'-[6-(2,3-dichloroanilino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
CID 22530945
N'-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
CID 23488376
2-methoxy-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22536109

Frequently Asked Questions

What is the IUPAC name of N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methoxybenzohydrazide?
The IUPAC name of N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methoxybenzohydrazide (CID 22534718) is N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methoxybenzohydrazide.
What is the SMILES notation for N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methoxybenzohydrazide?
The canonical SMILES for N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methoxybenzohydrazide is COc1ccccc1C(=O)NNc1ncnc(NN)c1[N+](=O)[O-].
What is the InChIKey of N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methoxybenzohydrazide?
The InChIKey is YPCUMGMDLNNJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7O4/c1-23-8-5-3-2-4-7(8)12(20)18-17-11-9(19(21)22)10(16-13)14-6-15-11/h2-6H,13H2,1H3,(H,18,20)(H2,14,15,16,17).
What are the key properties of N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methoxybenzohydrazide?
N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methoxybenzohydrazide has a molecular weight of 319.28 g/mol, XLogP of 0.44, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)-2-methoxybenzohydrazide is sourced from PubChem (CID 22534718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).