(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methylidene]hydroxylamine

C8H15N6O2+ — CID 135821745

IUPAC(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methylidene]hydroxylamine
SMILESC[NH+]1CCN(/C(=N\O)c2nonc2N)CC1
InChIInChI=1S/C8H14N6O2/c1-13-2-4-14(5-3-13)8(10-15)6-7(9)12-16-11-6/h15H,2-5H2,1H3,(H2,9,12)/p+1/b10-8-
InChIKeyIHJJWBVRTIYDPA-NTMALXAHSA-O
MW227.25 g/mol
LogP-2.38
Rot. Bonds1

About (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methylidene]hydroxylamine

(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methylidene]hydroxylamine (PubChem CID 135821745) has the molecular formula C8H15N6O2+ and a molecular weight of 227.25 g/mol. Its IUPAC name is (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methylidene]hydroxylamine
PubChem CID135821745
Molecular FormulaC8H15N6O2+
Molecular Weight227.25 g/mol
Exact Mass227.13
IUPAC Name(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methylidene]hydroxylamine
SMILESC[NH+]1CCN(/C(=N\O)c2nonc2N)CC1
InChIInChI=1S/C8H14N6O2/c1-13-2-4-14(5-3-13)8(10-15)6-7(9)12-16-11-6/h15H,2-5H2,1H3,(H2,9,12)/p+1/b10-8-
InChIKeyIHJJWBVRTIYDPA-NTMALXAHSA-O
XLogP-2.38
TPSA105.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 5-2.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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)-[(2R,6S)-4-[(E)-C-(4-amino-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]-2,6-dimethylpiperazin-1-yl]methylidene]hydroxylamine
CID 135874153
4-[(E)-N-ethoxy-C-morpholin-4-ylcarbonimidoyl]-1,2,5-oxadiazol-3-amine
CID 5340009
4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate
CID 137272272
2-(4-amino-1,2,5-oxadiazol-3-yl)-N'-hydroxy-2-hydroxyiminoethanimidamide
CID 136902125
(NE)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[2-methyl-4-(4-nitrophenyl)piperazin-1-yl]methylidene]hydroxylamine
CID 135821947
[(Z)-[(4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethylidene]amino] benzoate
CID 6368557
4-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62686900
[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
(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-1,2,5-oxadiazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107219737
(4-amino-1,2,5-oxadiazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63633859
4-amino-N-(4-methylpiperazin-1-yl)-1,2,5-oxadiazole-3-carboxamide
CID 83015855

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methylidene]hydroxylamine (CID 135821745) is (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methylidene]hydroxylamine is C[NH+]1CCN(/C(=N\O)c2nonc2N)CC1.
What is the InChIKey of (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methylidene]hydroxylamine?
The InChIKey is IHJJWBVRTIYDPA-NTMALXAHSA-O. The full InChI is InChI=1S/C8H14N6O2/c1-13-2-4-14(5-3-13)8(10-15)6-7(9)12-16-11-6/h15H,2-5H2,1H3,(H2,9,12)/p+1/b10-8-.
What are the key properties of (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methylidene]hydroxylamine?
(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methylidene]hydroxylamine has a molecular weight of 227.25 g/mol, XLogP of -2.38, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 135821745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).