hydroxylamine;2-hydroxy-5-nitrotetrazole

CH4N6O4 — CID 175730061

IUPAChydroxylamine;2-hydroxy-5-nitrotetrazole
SMILESNO.O=[N+]([O-])c1nnn(O)n1
InChIInChI=1S/CHN5O3.H3NO/c7-5(8)1-2-4-6(9)3-1;1-2/h9H;2H,1H2
InChIKeyLKWWUCJPJQEMCJ-UHFFFAOYSA-N
MW164.08 g/mol
LogP-1.85
Rot. Bonds1

About hydroxylamine;2-hydroxy-5-nitrotetrazole

hydroxylamine;2-hydroxy-5-nitrotetrazole (PubChem CID 175730061) has the molecular formula CH4N6O4 and a molecular weight of 164.08 g/mol. Its IUPAC name is hydroxylamine;2-hydroxy-5-nitrotetrazole.

Molecular Properties

Compound Namehydroxylamine;2-hydroxy-5-nitrotetrazole
PubChem CID175730061
Molecular FormulaCH4N6O4
Molecular Weight164.08 g/mol
Exact Mass164.03
IUPAC Namehydroxylamine;2-hydroxy-5-nitrotetrazole
SMILESNO.O=[N+]([O-])c1nnn(O)n1
InChIInChI=1S/CHN5O3.H3NO/c7-5(8)1-2-4-6(9)3-1;1-2/h9H;2H,1H2
InChIKeyLKWWUCJPJQEMCJ-UHFFFAOYSA-N
XLogP-1.85
TPSA153.22 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.08
LogP ≤ 5-1.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-nitrotetrazole
CID 69030732
2-iodo-5-nitrotetrazole
CID 69031764
5-nitro-2-(1,1,2,2,2-pentafluoroethyl)tetrazole
CID 87666212
1-[2-(5-nitrotetrazol-2-yl)ethyl]tetrazol-5-amine
CID 132513692
[[(Z)-1-(5-nitrotetrazol-2-yl)prop-1-en-2-yl]amino] 4-methylbenzoate
CID 6997761
bis(bis(5-nitrotetrazol-2-yl)boranuide);bis(tetraphenylphosphanium)
CID 139139523
carbamic acid;2-nitropyrimidine
CID 67023140
N-[(Z)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-2-phenylacetamide
CID 5341365
N'-hydroxy-1,3-dimethyl-4-nitropyrazole-5-carboximidamide
CID 154085797
(2S)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ol
CID 7335543
1-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]triazole-4-carbohydrazide
CID 63578868
4-hydroxy-N-[(Z)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]benzamide
CID 6326556

Frequently Asked Questions

What is the IUPAC name of hydroxylamine;2-hydroxy-5-nitrotetrazole?
The IUPAC name of hydroxylamine;2-hydroxy-5-nitrotetrazole (CID 175730061) is hydroxylamine;2-hydroxy-5-nitrotetrazole.
What is the SMILES notation for hydroxylamine;2-hydroxy-5-nitrotetrazole?
The canonical SMILES for hydroxylamine;2-hydroxy-5-nitrotetrazole is NO.O=[N+]([O-])c1nnn(O)n1.
What is the InChIKey of hydroxylamine;2-hydroxy-5-nitrotetrazole?
The InChIKey is LKWWUCJPJQEMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CHN5O3.H3NO/c7-5(8)1-2-4-6(9)3-1;1-2/h9H;2H,1H2.
What are the key properties of hydroxylamine;2-hydroxy-5-nitrotetrazole?
hydroxylamine;2-hydroxy-5-nitrotetrazole has a molecular weight of 164.08 g/mol, XLogP of -1.85, 1 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxylamine;2-hydroxy-5-nitrotetrazole is sourced from PubChem (CID 175730061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).