1-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]-2-phenylhydrazine

C16H14N8O4 — CID 22526624

IUPAC1-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]-2-phenylhydrazine
SMILESO=[N+]([O-])c1ccc(NNc2ncnc(NNc3ccccc3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C16H14N8O4/c25-23(26)13-8-6-12(7-9-13)20-22-16-14(24(27)28)15(17-10-18-16)21-19-11-4-2-1-3-5-11/h1-10,19-20H,(H2,17,18,21,22)
InChIKeyLJFRJQSWVIWLNI-UHFFFAOYSA-N
MW382.34 g/mol
LogP3.17
Rot. Bonds8

About 1-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]-2-phenylhydrazine

1-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]-2-phenylhydrazine (PubChem CID 22526624) has the molecular formula C16H14N8O4 and a molecular weight of 382.34 g/mol. Its IUPAC name is 1-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]-2-phenylhydrazine
PubChem CID22526624
Molecular FormulaC16H14N8O4
Molecular Weight382.34 g/mol
Exact Mass382.11
IUPAC Name1-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]-2-phenylhydrazine
SMILESO=[N+]([O-])c1ccc(NNc2ncnc(NNc3ccccc3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C16H14N8O4/c25-23(26)13-8-6-12(7-9-13)20-22-16-14(24(27)28)15(17-10-18-16)21-19-11-4-2-1-3-5-11/h1-10,19-20H,(H2,17,18,21,22)
InChIKeyLJFRJQSWVIWLNI-UHFFFAOYSA-N
XLogP3.17
TPSA160.18 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.17
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]benzohydrazide
CID 22526827
5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]-N-(2-phenylethyl)pyrimidin-4-amine
CID 23489914
N-cyclopentyl-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
CID 22526883
5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine
CID 23489047
5-nitro-6-(2-phenylhydrazinyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 22526736
N-butan-2-yl-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
CID 22526890
N-(5-chloro-2-pyridinyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
CID 22526793
N-hexadecyl-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
CID 23494443
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22526842
5-nitro-6-(2-phenylhydrazinyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 22526735
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
CID 22526845
N-(3-methoxypropyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
CID 22526474

Frequently Asked Questions

What is the IUPAC name of 1-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]-2-phenylhydrazine?
The IUPAC name of 1-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]-2-phenylhydrazine (CID 22526624) is 1-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]-2-phenylhydrazine.
What is the SMILES notation for 1-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]-2-phenylhydrazine?
The canonical SMILES for 1-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]-2-phenylhydrazine is O=[N+]([O-])c1ccc(NNc2ncnc(NNc3ccccc3)c2[N+](=O)[O-])cc1.
What is the InChIKey of 1-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]-2-phenylhydrazine?
The InChIKey is LJFRJQSWVIWLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8O4/c25-23(26)13-8-6-12(7-9-13)20-22-16-14(24(27)28)15(17-10-18-16)21-19-11-4-2-1-3-5-11/h1-10,19-20H,(H2,17,18,21,22).
What are the key properties of 1-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]-2-phenylhydrazine?
1-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]-2-phenylhydrazine has a molecular weight of 382.34 g/mol, XLogP of 3.17, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]-2-phenylhydrazine is sourced from PubChem (CID 22526624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).