N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide

C17H14N8O5 — CID 22526827

IUPACN'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
SMILESO=C(NNc1ncnc(NNc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C17H14N8O5/c26-17(11-4-2-1-3-5-11)23-22-16-14(25(29)30)15(18-10-19-16)21-20-12-6-8-13(9-7-12)24(27)28/h1-10,20H,(H,23,26)(H2,18,19,21,22)
InChIKeyOWDGCLRLRRYDKS-UHFFFAOYSA-N
MW410.35 g/mol
LogP2.49
Rot. Bonds8

About N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide

N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide (PubChem CID 22526827) has the molecular formula C17H14N8O5 and a molecular weight of 410.35 g/mol. Its IUPAC name is N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
PubChem CID22526827
Molecular FormulaC17H14N8O5
Molecular Weight410.35 g/mol
Exact Mass410.11
IUPAC NameN'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
SMILESO=C(NNc1ncnc(NNc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C17H14N8O5/c26-17(11-4-2-1-3-5-11)23-22-16-14(25(29)30)15(18-10-19-16)21-20-12-6-8-13(9-7-12)24(27)28/h1-10,20H,(H,23,26)(H2,18,19,21,22)
InChIKeyOWDGCLRLRRYDKS-UHFFFAOYSA-N
XLogP2.49
TPSA177.25 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22526842
3-chloro-N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22526838
1-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]-2-phenylhydrazine
CID 22526624
N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide
CID 22530681
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
CID 22526845
N'-[6-[2-(4-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide
CID 22535520
N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22533609
N'-[6-(4-bromoanilino)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide
CID 22533079
2-chloro-N'-[5-nitro-6-[2-(4-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22535685
4-nitro-N'-[5-nitro-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22535699
N'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22535003
4-nitro-N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22531067

Frequently Asked Questions

What is the IUPAC name of N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide?
The IUPAC name of N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide (CID 22526827) is N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide.
What is the SMILES notation for N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide?
The canonical SMILES for N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide is O=C(NNc1ncnc(NNc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide?
The InChIKey is OWDGCLRLRRYDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N8O5/c26-17(11-4-2-1-3-5-11)23-22-16-14(25(29)30)15(18-10-19-16)21-20-12-6-8-13(9-7-12)24(27)28/h1-10,20H,(H,23,26)(H2,18,19,21,22).
What are the key properties of N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide?
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide has a molecular weight of 410.35 g/mol, XLogP of 2.49, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide is sourced from PubChem (CID 22526827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).