(NZ)-N-[(5-methyl-1H-imidazol-4-yl)-nitromethylidene]hydroxylamine

C5H6N4O3 — CID 135816694

IUPAC(NZ)-N-[(5-methyl-1H-imidazol-4-yl)-nitromethylidene]hydroxylamine
SMILESCc1[nH]cnc1/C(=N/O)[N+](=O)[O-]
InChIInChI=1S/C5H6N4O3/c1-3-4(7-2-6-3)5(8-10)9(11)12/h2,10H,1H3,(H,6,7)/b8-5-
InChIKeyKRQJYEXCWPZBDO-YVMONPNESA-N
MW170.13 g/mol
LogP0.13
Rot. Bonds1

About (NZ)-N-[(5-methyl-1H-imidazol-4-yl)-nitromethylidene]hydroxylamine

(NZ)-N-[(5-methyl-1H-imidazol-4-yl)-nitromethylidene]hydroxylamine (PubChem CID 135816694) has the molecular formula C5H6N4O3 and a molecular weight of 170.13 g/mol. Its IUPAC name is (NZ)-N-[(5-methyl-1H-imidazol-4-yl)-nitromethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(5-methyl-1H-imidazol-4-yl)-nitromethylidene]hydroxylamine
PubChem CID135816694
Molecular FormulaC5H6N4O3
Molecular Weight170.13 g/mol
Exact Mass170.04
IUPAC Name(NZ)-N-[(5-methyl-1H-imidazol-4-yl)-nitromethylidene]hydroxylamine
SMILESCc1[nH]cnc1/C(=N/O)[N+](=O)[O-]
InChIInChI=1S/C5H6N4O3/c1-3-4(7-2-6-3)5(8-10)9(11)12/h2,10H,1H3,(H,6,7)/b8-5-
InChIKeyKRQJYEXCWPZBDO-YVMONPNESA-N
XLogP0.13
TPSA104.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

4-Methyl-5-nitroimidazole
CID 86278103
(NZ)-N-[1H-imidazol-5-yl(nitro)methylidene]hydroxylamine
CID 135830877
N-Hydroxyadenine 3-oxide
CID 135611800
4-Aminoimidazole-5-carboxamidoxime
CID 146054
(4-methyl-1H-imidazol-5-yl)methanamine
CID 20393969
5-Aminoimidazole-4-carboxamidoxime
CID 135556880
1-hydroxy-4,4,5,5-tetramethyl-2-(5-methyl-1H-imidazol-4-yl)imidazole
CID 5242122
(6s)-Hydroxy-1,6-dihydropurine
CID 54112474
4-cyano-N'-hydroxy-1H-imidazole-5-carboximidamide
CID 135542017
4,5-(Diamidoximyl)imidazole
CID 139185503
(NZ)-N-(1-hydroxy-7H-purin-6-ylidene)nitrous amide
CID 135488844
N-(3-oxido-9H-purin-3-ium-6-yl)-hydroxylamine
CID 135534639

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(5-methyl-1H-imidazol-4-yl)-nitromethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(5-methyl-1H-imidazol-4-yl)-nitromethylidene]hydroxylamine (CID 135816694) is (NZ)-N-[(5-methyl-1H-imidazol-4-yl)-nitromethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(5-methyl-1H-imidazol-4-yl)-nitromethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(5-methyl-1H-imidazol-4-yl)-nitromethylidene]hydroxylamine is Cc1[nH]cnc1/C(=N/O)[N+](=O)[O-].
What is the InChIKey of (NZ)-N-[(5-methyl-1H-imidazol-4-yl)-nitromethylidene]hydroxylamine?
The InChIKey is KRQJYEXCWPZBDO-YVMONPNESA-N. The full InChI is InChI=1S/C5H6N4O3/c1-3-4(7-2-6-3)5(8-10)9(11)12/h2,10H,1H3,(H,6,7)/b8-5-.
What are the key properties of (NZ)-N-[(5-methyl-1H-imidazol-4-yl)-nitromethylidene]hydroxylamine?
(NZ)-N-[(5-methyl-1H-imidazol-4-yl)-nitromethylidene]hydroxylamine has a molecular weight of 170.13 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(5-methyl-1H-imidazol-4-yl)-nitromethylidene]hydroxylamine is sourced from PubChem (CID 135816694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).