(NE)-N-(oxadiazinan-4-ylidene)nitramide

C3H6N4O3 — CID 135753905

IUPAC(NE)-N-(oxadiazinan-4-ylidene)nitramide
SMILESO=[N+]([O-])/N=C1\CCONN1
InChIInChI=1S/C3H6N4O3/c8-7(9)5-3-1-2-10-6-4-3/h6H,1-2H2,(H,4,5)
InChIKeyOXQUUQYWPUJRHT-UHFFFAOYSA-N
MW146.11 g/mol
LogP-0.99
Rot. Bonds1

About (NE)-N-(oxadiazinan-4-ylidene)nitramide

(NE)-N-(oxadiazinan-4-ylidene)nitramide (PubChem CID 135753905) has the molecular formula C3H6N4O3 and a molecular weight of 146.11 g/mol. Its IUPAC name is (NE)-N-(oxadiazinan-4-ylidene)nitramide.

Molecular Properties

Compound Name(NE)-N-(oxadiazinan-4-ylidene)nitramide
PubChem CID135753905
Molecular FormulaC3H6N4O3
Molecular Weight146.11 g/mol
Exact Mass146.04
IUPAC Name(NE)-N-(oxadiazinan-4-ylidene)nitramide
SMILESO=[N+]([O-])/N=C1\CCONN1
InChIInChI=1S/C3H6N4O3/c8-7(9)5-3-1-2-10-6-4-3/h6H,1-2H2,(H,4,5)
InChIKeyOXQUUQYWPUJRHT-UHFFFAOYSA-N
XLogP-0.99
TPSA88.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.11
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3aR,7aR)-1,3,3a,5,6,7a-hexahydro-[1,4]dioxino[2,3-d]imidazol-2-ylidene]nitramide
CID 136672591
(NZ)-N-[(4aS,7aS)-6-oxo-2,4,4a,5,7,7a-hexahydro-1H-imidazo[4,5-e][1,2,4]triazin-3-ylidene]nitramide
CID 135938772
(NE)-N-(1,3-thiazolidin-2-ylidene)nitramide
CID 135798723
N-(3,4-dihydro-1,2,4-triazol-5-ylidene)nitramide
CID 173496901
(NE)-N-[1-[(E)-[(5E)-5-nitroimino-2H-tetrazol-1-yl]diazenyl]-2H-tetrazol-5-ylidene]nitramide
CID 177447225
(NZ)-N-(1-methyl-2H-tetrazol-5-ylidene)nitramide
CID 177438875
(NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-triazinan-2-ylidene]nitramide
CID 135778494
8-nitro-1,2,4,5-tetrahydro-3,2-benzoxazepin-7-amine
CID 175496625
(NZ)-N-[1-[4-[(5Z)-5-nitroimino-2H-tetrazol-1-yl]butyl]-2H-tetrazol-5-ylidene]nitramide
CID 177405404
N-[5-(2-hydroxyethyl)-1,3,5-triazinan-2-ylidene]nitramide
CID 135498140
N-[1-[(6-chloro-3-pyridinyl)methylsulfonyl]imidazolidin-2-ylidene]nitramide
CID 173380317
N-[1-[1-(oxolan-2-yl)ethyl]imidazolidin-2-ylidene]nitramide
CID 139703759

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(oxadiazinan-4-ylidene)nitramide?
The IUPAC name of (NE)-N-(oxadiazinan-4-ylidene)nitramide (CID 135753905) is (NE)-N-(oxadiazinan-4-ylidene)nitramide.
What is the SMILES notation for (NE)-N-(oxadiazinan-4-ylidene)nitramide?
The canonical SMILES for (NE)-N-(oxadiazinan-4-ylidene)nitramide is O=[N+]([O-])/N=C1\CCONN1.
What is the InChIKey of (NE)-N-(oxadiazinan-4-ylidene)nitramide?
The InChIKey is OXQUUQYWPUJRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4O3/c8-7(9)5-3-1-2-10-6-4-3/h6H,1-2H2,(H,4,5).
What are the key properties of (NE)-N-(oxadiazinan-4-ylidene)nitramide?
(NE)-N-(oxadiazinan-4-ylidene)nitramide has a molecular weight of 146.11 g/mol, XLogP of -0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(oxadiazinan-4-ylidene)nitramide is sourced from PubChem (CID 135753905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).