[(E)-2H-tetrazol-5-yldiazenyl]methanol

C2H4N6O — CID 137267834

IUPAC[(E)-2H-tetrazol-5-yldiazenyl]methanol
SMILESOC/N=N/c1nn[nH]n1
InChIInChI=1S/C2H4N6O/c9-1-3-4-2-5-7-8-6-2/h9H,1H2,(H,5,6,7,8)/b4-3+
InChIKeyBUHLXAAEXUUFKN-ONEGZZNKSA-N
MW128.09 g/mol
LogP-0.77
Rot. Bonds2

About [(E)-2H-tetrazol-5-yldiazenyl]methanol

[(E)-2H-tetrazol-5-yldiazenyl]methanol (PubChem CID 137267834) has the molecular formula C2H4N6O and a molecular weight of 128.09 g/mol. Its IUPAC name is [(E)-2H-tetrazol-5-yldiazenyl]methanol.

Molecular Properties

Compound Name[(E)-2H-tetrazol-5-yldiazenyl]methanol
PubChem CID137267834
Molecular FormulaC2H4N6O
Molecular Weight128.09 g/mol
Exact Mass128.04
IUPAC Name[(E)-2H-tetrazol-5-yldiazenyl]methanol
SMILESOC/N=N/c1nn[nH]n1
InChIInChI=1S/C2H4N6O/c9-1-3-4-2-5-7-8-6-2/h9H,1H2,(H,5,6,7,8)/b4-3+
InChIKeyBUHLXAAEXUUFKN-ONEGZZNKSA-N
XLogP-0.77
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(2H-tetrazol-5-yl)diazene;guanidine
CID 173025906
(4-methoxyphenyl)methyl-(2H-tetrazol-5-yl)diazene
CID 170922069
anthracen-9-ylmethyl(2H-tetrazol-5-yl)diazene
CID 136600638
N-methyl-N-(2H-tetrazol-5-yldiazenyl)aniline
CID 137190281
1-N,4-N-bis(2H-tetrazol-5-yl)benzene-1,4-dicarboximidate
CID 2245163
1-N,3-N-bis(2H-tetrazol-5-yl)isoindole-1,3-diimine
CID 135820736
[2-methoxy-4-[(2H-tetrazol-5-yldiazenyl)methyl]phenyl] thiophene-2-carboxylate
CID 170921680
3,3-diphenyl-N-(2H-tetrazol-5-yl)propanimidate
CID 2166727
4-tert-butyl-N-(2H-tetrazol-5-yl)benzenecarboximidate
CID 4744985
hydrogen peroxide;2H-tetrazol-5-amine
CID 87704631
2-(2H-tetrazol-5-ylimino)indene-1,3-dione
CID 5338641
ethyl 2-[(E)-2H-tetrazol-5-yldiazenyl]-2-[(E)-1H-1,2,4-triazol-5-yldiazenyl]acetate
CID 135614157

Frequently Asked Questions

What is the IUPAC name of [(E)-2H-tetrazol-5-yldiazenyl]methanol?
The IUPAC name of [(E)-2H-tetrazol-5-yldiazenyl]methanol (CID 137267834) is [(E)-2H-tetrazol-5-yldiazenyl]methanol.
What is the SMILES notation for [(E)-2H-tetrazol-5-yldiazenyl]methanol?
The canonical SMILES for [(E)-2H-tetrazol-5-yldiazenyl]methanol is OC/N=N/c1nn[nH]n1.
What is the InChIKey of [(E)-2H-tetrazol-5-yldiazenyl]methanol?
The InChIKey is BUHLXAAEXUUFKN-ONEGZZNKSA-N. The full InChI is InChI=1S/C2H4N6O/c9-1-3-4-2-5-7-8-6-2/h9H,1H2,(H,5,6,7,8)/b4-3+.
What are the key properties of [(E)-2H-tetrazol-5-yldiazenyl]methanol?
[(E)-2H-tetrazol-5-yldiazenyl]methanol has a molecular weight of 128.09 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2H-tetrazol-5-yldiazenyl]methanol is sourced from PubChem (CID 137267834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).