(NZ)-N-[2-azido-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine

C5H6N6O2 — CID 136647801

IUPAC(NZ)-N-[2-azido-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine
SMILESCc1nonc1/C(CN=[N+]=[N-])=N\O
InChIInChI=1S/C5H6N6O2/c1-3-5(10-13-9-3)4(8-12)2-7-11-6/h12H,2H2,1H3/b8-4-
InChIKeySKEITELSGUMYGS-YWEYNIOJSA-N
MW182.14 g/mol
LogP0.87
Rot. Bonds3

About (NZ)-N-[2-azido-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine

(NZ)-N-[2-azido-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine (PubChem CID 136647801) has the molecular formula C5H6N6O2 and a molecular weight of 182.14 g/mol. Its IUPAC name is (NZ)-N-[2-azido-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2-azido-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine
PubChem CID136647801
Molecular FormulaC5H6N6O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name(NZ)-N-[2-azido-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine
SMILESCc1nonc1/C(CN=[N+]=[N-])=N\O
InChIInChI=1S/C5H6N6O2/c1-3-5(10-13-9-3)4(8-12)2-7-11-6/h12H,2H2,1H3/b8-4-
InChIKeySKEITELSGUMYGS-YWEYNIOJSA-N
XLogP0.87
TPSA120.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[2-azido-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine
CID 135580675
3-(azidomethyl)-4-methyl-1,2,5-oxadiazole
CID 58766277
(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethanone
CID 13415356
2-azido-1-(5-methylpyrazin-2-yl)ethanone
CID 121394732
5-(azidomethyl)-3-propyl-1,2,4-oxadiazole
CID 61374395
5-(azidomethyl)-3-methyl-4-phenyl-1,2-oxazole
CID 123950746
2-azido-N-(6-methylpyrimidin-4-yl)acetamide
CID 166398031
N-benzyl-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
CID 110691862
2-(azidomethyl)penta-1,4-diene
CID 23453433
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2,5-oxadiazole-3-carboxamide
CID 110692041
2-azido-N-[(4-methylphenyl)methyl]acetamide
CID 52940391
N'-hydroxy-4-(methylamino)-1,2,5-oxadiazole-3-carboximidamide
CID 142416542

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[2-azido-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2-azido-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine (CID 136647801) is (NZ)-N-[2-azido-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2-azido-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2-azido-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine is Cc1nonc1/C(CN=[N+]=[N-])=N\O.
What is the InChIKey of (NZ)-N-[2-azido-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine?
The InChIKey is SKEITELSGUMYGS-YWEYNIOJSA-N. The full InChI is InChI=1S/C5H6N6O2/c1-3-5(10-13-9-3)4(8-12)2-7-11-6/h12H,2H2,1H3/b8-4-.
What are the key properties of (NZ)-N-[2-azido-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine?
(NZ)-N-[2-azido-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine has a molecular weight of 182.14 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2-azido-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 136647801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).