4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]benzene-1,2-diol

C8H8N6O2 — CID 135690684

IUPAC4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]benzene-1,2-diol
SMILESOc1ccc(/C=N/Nc2nn[nH]n2)cc1O
InChIInChI=1S/C8H8N6O2/c15-6-2-1-5(3-7(6)16)4-9-10-8-11-13-14-12-8/h1-4,15-16H,(H2,10,11,12,13,14)/b9-4+
InChIKeySFZXYQPCWGYOAO-RUDMXATFSA-N
MW220.19 g/mol
LogP0.06
Rot. Bonds3

About 4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]benzene-1,2-diol

4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]benzene-1,2-diol (PubChem CID 135690684) has the molecular formula C8H8N6O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]benzene-1,2-diol
PubChem CID135690684
Molecular FormulaC8H8N6O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]benzene-1,2-diol
SMILESOc1ccc(/C=N/Nc2nn[nH]n2)cc1O
InChIInChI=1S/C8H8N6O2/c15-6-2-1-5(3-7(6)16)4-9-10-8-11-13-14-12-8/h1-4,15-16H,(H2,10,11,12,13,14)/b9-4+
InChIKeySFZXYQPCWGYOAO-RUDMXATFSA-N
XLogP0.06
TPSA119.31 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-ethoxyphenol
CID 6859201
N'',N'''-Bis[(E)-1-(3,4-dihydroxyphenyl)methylidene]carbonic dihydrazide
CID 135420153
[[(E)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]thiourea
CID 135488445
2-{(E)-[(5-amino-1H-tetrazol-1-yl)imino]methyl}-6-methoxyphenol
CID 135589670
2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(4-hydroxyphenyl)methylidene]acetohydrazide
CID 135603302
2-hydroxybenzaldehyde 1H-tetrazol-5-ylhydrazone
CID 135504452
4-{(Z)-[(5-amino-1H-tetrazol-1-yl)imino]methyl}-2-ethoxyphenol
CID 135647026
4-{[(5-amino-1H-tetrazol-1-yl)imino]methyl}phenol
CID 135400459
(4E)-4-[[(5-aminotetrazol-1-yl)amino]methylidene]-2-methoxycyclohexa-2,5-dien-1-one
CID 135513621
2-{[(5-amino-1H-tetraazol-1-yl)imino]methyl}phenol
CID 135504325
3-{(E)-[(5-amino-1H-tetrazol-1-yl)imino]methyl}phenol
CID 6858639
[(Z)-(3,4-dihydroxyphenyl)methyleneamino]thiourea
CID 135459389

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]benzene-1,2-diol?
The IUPAC name of 4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]benzene-1,2-diol (CID 135690684) is 4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]benzene-1,2-diol?
The canonical SMILES for 4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]benzene-1,2-diol is Oc1ccc(/C=N/Nc2nn[nH]n2)cc1O.
What is the InChIKey of 4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]benzene-1,2-diol?
The InChIKey is SFZXYQPCWGYOAO-RUDMXATFSA-N. The full InChI is InChI=1S/C8H8N6O2/c15-6-2-1-5(3-7(6)16)4-9-10-8-11-13-14-12-8/h1-4,15-16H,(H2,10,11,12,13,14)/b9-4+.
What are the key properties of 4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]benzene-1,2-diol?
4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]benzene-1,2-diol has a molecular weight of 220.19 g/mol, XLogP of 0.06, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]benzene-1,2-diol is sourced from PubChem (CID 135690684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).