(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[(2R,6S)-4-[(E)-C-(4-amino-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]-2,6-dimethylpiperazin-1-yl]methylidene]hydroxylamine

C12H18N10O4 — CID 135874153

IUPAC(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[(2R,6S)-4-[(E)-C-(4-amino-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]-2,6-dimethylpiperazin-1-yl]methylidene]hydroxylamine
SMILESC[C@@H]1CN(/C(=N/O)c2nonc2N)C[C@H](C)N1/C(=N\O)c1nonc1N
InChIInChI=1S/C12H18N10O4/c1-5-3-21(11(15-23)7-9(13)19-25-17-7)4-6(2)22(5)12(16-24)8-10(14)20-26-18-8/h5-6,23-24H,3-4H2,1-2H3,(H2,13,19)(H2,14,20)/b15-11+,16-12-/t5-,6+
InChIKeyFPFOXRGMPRBVGB-NMPIPTSXSA-N
MW366.34 g/mol
LogP-1.02
Rot. Bonds2

About (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[(2R,6S)-4-[(E)-C-(4-amino-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]-2,6-dimethylpiperazin-1-yl]methylidene]hydroxylamine

(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[(2R,6S)-4-[(E)-C-(4-amino-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]-2,6-dimethylpiperazin-1-yl]methylidene]hydroxylamine (PubChem CID 135874153) has the molecular formula C12H18N10O4 and a molecular weight of 366.34 g/mol. Its IUPAC name is (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[(2R,6S)-4-[(E)-C-(4-amino-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]-2,6-dimethylpiperazin-1-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[(2R,6S)-4-[(E)-C-(4-amino-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]-2,6-dimethylpiperazin-1-yl]methylidene]hydroxylamine
PubChem CID135874153
Molecular FormulaC12H18N10O4
Molecular Weight366.34 g/mol
Exact Mass366.15
IUPAC Name(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[(2R,6S)-4-[(E)-C-(4-amino-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]-2,6-dimethylpiperazin-1-yl]methylidene]hydroxylamine
SMILESC[C@@H]1CN(/C(=N/O)c2nonc2N)C[C@H](C)N1/C(=N\O)c1nonc1N
InChIInChI=1S/C12H18N10O4/c1-5-3-21(11(15-23)7-9(13)19-25-17-7)4-6(2)22(5)12(16-24)8-10(14)20-26-18-8/h5-6,23-24H,3-4H2,1-2H3,(H2,13,19)(H2,14,20)/b15-11+,16-12-/t5-,6+
InChIKeyFPFOXRGMPRBVGB-NMPIPTSXSA-N
XLogP-1.02
TPSA201.54 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.34
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methylidene]hydroxylamine
CID 135821745
(4-amino-1,2,5-oxadiazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63633859
(NE)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[2-methyl-4-(4-nitrophenyl)piperazin-1-yl]methylidene]hydroxylamine
CID 135821947
(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[4-(4-chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]methylidene]hydroxylamine
CID 135641491
4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate
CID 137272272
4-[(E)-N-ethoxy-C-morpholin-4-ylcarbonimidoyl]-1,2,5-oxadiazol-3-amine
CID 5340009
2-(4-amino-1,2,5-oxadiazol-3-yl)-N'-hydroxy-2-hydroxyiminoethanimidamide
CID 136902125
(4-amino-1,2,5-oxadiazol-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81203292
(4-amino-1,2,5-oxadiazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107219737
[4-[2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]ethyl]piperazin-1-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone
CID 11452890
4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;2,3-dihydro-1H-indene
CID 142298336
(4-amino-1,2,5-oxadiazol-3-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 62686666

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[(2R,6S)-4-[(E)-C-(4-amino-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]-2,6-dimethylpiperazin-1-yl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[(2R,6S)-4-[(E)-C-(4-amino-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]-2,6-dimethylpiperazin-1-yl]methylidene]hydroxylamine (CID 135874153) is (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[(2R,6S)-4-[(E)-C-(4-amino-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]-2,6-dimethylpiperazin-1-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[(2R,6S)-4-[(E)-C-(4-amino-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]-2,6-dimethylpiperazin-1-yl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[(2R,6S)-4-[(E)-C-(4-amino-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]-2,6-dimethylpiperazin-1-yl]methylidene]hydroxylamine is C[C@@H]1CN(/C(=N/O)c2nonc2N)C[C@H](C)N1/C(=N\O)c1nonc1N.
What is the InChIKey of (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[(2R,6S)-4-[(E)-C-(4-amino-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]-2,6-dimethylpiperazin-1-yl]methylidene]hydroxylamine?
The InChIKey is FPFOXRGMPRBVGB-NMPIPTSXSA-N. The full InChI is InChI=1S/C12H18N10O4/c1-5-3-21(11(15-23)7-9(13)19-25-17-7)4-6(2)22(5)12(16-24)8-10(14)20-26-18-8/h5-6,23-24H,3-4H2,1-2H3,(H2,13,19)(H2,14,20)/b15-11+,16-12-/t5-,6+.
What are the key properties of (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[(2R,6S)-4-[(E)-C-(4-amino-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]-2,6-dimethylpiperazin-1-yl]methylidene]hydroxylamine?
(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[(2R,6S)-4-[(E)-C-(4-amino-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]-2,6-dimethylpiperazin-1-yl]methylidene]hydroxylamine has a molecular weight of 366.34 g/mol, XLogP of -1.02, 2 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[(2R,6S)-4-[(E)-C-(4-amino-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]-2,6-dimethylpiperazin-1-yl]methylidene]hydroxylamine is sourced from PubChem (CID 135874153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).