N-[2-[[(E)-C,N-dinitrocarbonimidoyl]amino]hydrazinyl]-N',1-dinitro-N-oxido-N-oxomethanimidamide

C2H4N10O8 — CID 137229387

IUPACN-[2-[[(E)-C,N-dinitrocarbonimidoyl]amino]hydrazinyl]-N',1-dinitro-N-oxido-N-oxomethanimidamide
SMILESO=[N+]([O-])/N=C(\NNNN/C(=N\[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C2H4N10O8/c13-9(14)1(5-11(17)18)3-7-8-4-2(10(15)16)6-12(19)20/h7-8H,(H,3,5)(H,4,6)
InChIKeyKBCOJNGTNQVOMP-UHFFFAOYSA-N
MW296.12 g/mol
LogP-3.26
Rot. Bonds5

About N-[2-[[(E)-C,N-dinitrocarbonimidoyl]amino]hydrazinyl]-N',1-dinitro-N-oxido-N-oxomethanimidamide

N-[2-[[(E)-C,N-dinitrocarbonimidoyl]amino]hydrazinyl]-N',1-dinitro-N-oxido-N-oxomethanimidamide (PubChem CID 137229387) has the molecular formula C2H4N10O8 and a molecular weight of 296.12 g/mol. Its IUPAC name is N-[2-[[(E)-C,N-dinitrocarbonimidoyl]amino]hydrazinyl]-N',1-dinitro-N-oxido-N-oxomethanimidamide.

Molecular Properties

Compound NameN-[2-[[(E)-C,N-dinitrocarbonimidoyl]amino]hydrazinyl]-N',1-dinitro-N-oxido-N-oxomethanimidamide
PubChem CID137229387
Molecular FormulaC2H4N10O8
Molecular Weight296.12 g/mol
Exact Mass296.02
IUPAC NameN-[2-[[(E)-C,N-dinitrocarbonimidoyl]amino]hydrazinyl]-N',1-dinitro-N-oxido-N-oxomethanimidamide
SMILESO=[N+]([O-])/N=C(\NNNN/C(=N\[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C2H4N10O8/c13-9(14)1(5-11(17)18)3-7-8-4-2(10(15)16)6-12(19)20/h7-8H,(H,3,5)(H,4,6)
InChIKeyKBCOJNGTNQVOMP-UHFFFAOYSA-N
XLogP-3.26
TPSA245.40 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 5-3.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Related Compounds

(1Z)-N-nitroethanimidate
CID 22649980
N-[[(E)-N'-nitrocarbamimidoyl]amino]formamide
CID 135534645
N'-nitroethanimidamide
CID 90887679
methyl N-methyl-N'-nitrocarbamimidate
CID 135581711
1-[[4,6-bis[2-[(E)-N'-nitrocarbamimidoyl]hydrazinyl]-1,3,5-triazin-2-yl]amino]-2-nitroguanidine
CID 139262767
1-amino-3-methyl-2-nitroguanidine
CID 175201696
N,2,2,2-tetranitroethanimidic acid
CID 137203255
1-(2-methylbut-3-yn-2-yl)-2-nitroguanidine
CID 135900700
2-nitrobuta-1,3-diene
CID 12591973
1-methyl-2-nitro-3-propan-2-ylguanidine
CID 136651170
1-(hydroxyamino)-1-methyl-2-nitroguanidine
CID 135545577
N-methylidenehydroxylamine;nitric acid
CID 88514095

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(E)-C,N-dinitrocarbonimidoyl]amino]hydrazinyl]-N',1-dinitro-N-oxido-N-oxomethanimidamide?
The IUPAC name of N-[2-[[(E)-C,N-dinitrocarbonimidoyl]amino]hydrazinyl]-N',1-dinitro-N-oxido-N-oxomethanimidamide (CID 137229387) is N-[2-[[(E)-C,N-dinitrocarbonimidoyl]amino]hydrazinyl]-N',1-dinitro-N-oxido-N-oxomethanimidamide.
What is the SMILES notation for N-[2-[[(E)-C,N-dinitrocarbonimidoyl]amino]hydrazinyl]-N',1-dinitro-N-oxido-N-oxomethanimidamide?
The canonical SMILES for N-[2-[[(E)-C,N-dinitrocarbonimidoyl]amino]hydrazinyl]-N',1-dinitro-N-oxido-N-oxomethanimidamide is O=[N+]([O-])/N=C(\NNNN/C(=N\[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].
What is the InChIKey of N-[2-[[(E)-C,N-dinitrocarbonimidoyl]amino]hydrazinyl]-N',1-dinitro-N-oxido-N-oxomethanimidamide?
The InChIKey is KBCOJNGTNQVOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N10O8/c13-9(14)1(5-11(17)18)3-7-8-4-2(10(15)16)6-12(19)20/h7-8H,(H,3,5)(H,4,6).
What are the key properties of N-[2-[[(E)-C,N-dinitrocarbonimidoyl]amino]hydrazinyl]-N',1-dinitro-N-oxido-N-oxomethanimidamide?
N-[2-[[(E)-C,N-dinitrocarbonimidoyl]amino]hydrazinyl]-N',1-dinitro-N-oxido-N-oxomethanimidamide has a molecular weight of 296.12 g/mol, XLogP of -3.26, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E)-C,N-dinitrocarbonimidoyl]amino]hydrazinyl]-N',1-dinitro-N-oxido-N-oxomethanimidamide is sourced from PubChem (CID 137229387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).