2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol

C8H8N6O — CID 135504452

IUPAC2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
SMILESOc1ccccc1/C=N/Nc1nn[nH]n1
InChIInChI=1S/C8H8N6O/c15-7-4-2-1-3-6(7)5-9-10-8-11-13-14-12-8/h1-5,15H,(H2,10,11,12,13,14)/b9-5+
InChIKeyGAJKAMWBPBMNJM-WEVVVXLNSA-N
MW204.19 g/mol
LogP0.35
Rot. Bonds3

About 2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol

2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol (PubChem CID 135504452) has the molecular formula C8H8N6O and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
PubChem CID135504452
Molecular FormulaC8H8N6O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
SMILESOc1ccccc1/C=N/Nc1nn[nH]n1
InChIInChI=1S/C8H8N6O/c15-7-4-2-1-3-6(7)5-9-10-8-11-13-14-12-8/h1-5,15H,(H2,10,11,12,13,14)/b9-5+
InChIKeyGAJKAMWBPBMNJM-WEVVVXLNSA-N
XLogP0.35
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

Salicylaldehyde Thiosemicarbazone
CID 135423926
2-Hydroxybenzaldehyde semicarbazone
CID 135466838
1,5-Bis(salicylidene)carbohydrazide
CID 96015
Bissalicylidene thiocarbohydrazide
CID 3446799
2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(4-hydroxyphenyl)methylidene]acetohydrazide
CID 135603302
2-[(E)-[2-(4-Amino-5-methyl-4H-1,2,4-triazol-3-YL)hydrazin-1-ylidene]methyl]phenol
CID 135439758
2-{[(5-amino-1H-tetraazol-1-yl)imino]methyl}-4-bromophenol
CID 135504321
2-[(5-Amino-tetrazol-1-ylimino)-methyl]-4-chloro-phenol
CID 135537509
4-{[(5-amino-1H-tetrazol-1-yl)imino]methyl}phenol
CID 135400459
2-Hydroxybenzaldehyde thiosemicarbazone
CID 727917
2-[(E)-(2-hydroxyphenyl)methylideneamino]guanidine;hydrochloride
CID 135819633
1-[(E)-(2-methoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6858588

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol (CID 135504452) is 2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol is Oc1ccccc1/C=N/Nc1nn[nH]n1.
What is the InChIKey of 2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol?
The InChIKey is GAJKAMWBPBMNJM-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H8N6O/c15-7-4-2-1-3-6(7)5-9-10-8-11-13-14-12-8/h1-5,15H,(H2,10,11,12,13,14)/b9-5+.
What are the key properties of 2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol?
2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol has a molecular weight of 204.19 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135504452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).