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

C15H12N8O6 — CID 22526845

IUPACN'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
SMILESO=C(NNc1ncnc(NNc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-])c1ccco1
InChIInChI=1S/C15H12N8O6/c24-15(11-2-1-7-29-11)21-20-14-12(23(27)28)13(16-8-17-14)19-18-9-3-5-10(6-4-9)22(25)26/h1-8,18H,(H,21,24)(H2,16,17,19,20)
InChIKeySHOUXZVXNXTOMD-UHFFFAOYSA-N
MW400.31 g/mol
LogP2.08
Rot. Bonds8

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

N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide (PubChem CID 22526845) has the molecular formula C15H12N8O6 and a molecular weight of 400.31 g/mol. Its IUPAC name is N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
PubChem CID22526845
Molecular FormulaC15H12N8O6
Molecular Weight400.31 g/mol
Exact Mass400.09
IUPAC NameN'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
SMILESO=C(NNc1ncnc(NNc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-])c1ccco1
InChIInChI=1S/C15H12N8O6/c24-15(11-2-1-7-29-11)21-20-14-12(23(27)28)13(16-8-17-14)19-18-9-3-5-10(6-4-9)22(25)26/h1-8,18H,(H,21,24)(H2,16,17,19,20)
InChIKeySHOUXZVXNXTOMD-UHFFFAOYSA-N
XLogP2.08
TPSA190.39 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.31
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

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

4-[[6-[2-(furan-2-carbonyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoic acid
CID 22536812
N'-[6-(3,4-dichloroanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23485550
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22526827
N'-[6-(3,5-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23479503
N'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22535448
N'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 22536797
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22526842
dimethyl 5-[[6-[2-(furan-2-carbonyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 23486384
N'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide
CID 23495475
N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)furan-2-carbohydrazide
CID 23489620
1-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]-2-phenylhydrazine
CID 22526624
3-chloro-N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22526838

Frequently Asked Questions

What is the IUPAC name of N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide?
The IUPAC name of N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide (CID 22526845) is N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide?
The canonical SMILES for N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide is O=C(NNc1ncnc(NNc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-])c1ccco1.
What is the InChIKey of N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide?
The InChIKey is SHOUXZVXNXTOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N8O6/c24-15(11-2-1-7-29-11)21-20-14-12(23(27)28)13(16-8-17-14)19-18-9-3-5-10(6-4-9)22(25)26/h1-8,18H,(H,21,24)(H2,16,17,19,20).
What are the key properties of N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide?
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide has a molecular weight of 400.31 g/mol, XLogP of 2.08, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide is sourced from PubChem (CID 22526845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).