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

C8H8N6O — CID 135400458

IUPAC4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
SMILESOc1ccc(/C=N/Nc2nn[nH]n2)cc1
InChIInChI=1S/C8H8N6O/c15-7-3-1-6(2-4-7)5-9-10-8-11-13-14-12-8/h1-5,15H,(H2,10,11,12,13,14)/b9-5+
InChIKeyKHEWKNZODDGTAV-WEVVVXLNSA-N
MW204.19 g/mol
LogP0.35
Rot. Bonds3

About 4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol

4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol (PubChem CID 135400458) has the molecular formula C8H8N6O and a molecular weight of 204.19 g/mol. Its IUPAC name is 4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
PubChem CID135400458
Molecular FormulaC8H8N6O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
SMILESOc1ccc(/C=N/Nc2nn[nH]n2)cc1
InChIInChI=1S/C8H8N6O/c15-7-3-1-6(2-4-7)5-9-10-8-11-13-14-12-8/h1-5,15H,(H2,10,11,12,13,14)/b9-5+
InChIKeyKHEWKNZODDGTAV-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_B(215)', '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

N-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine
CID 7188525
N-[(4-ethylphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 4153256
2,6-dibromo-4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135736398
2,6-dibromo-4-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 136886804
2,6-dichloro-4-[(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 4050814
N-[(3,4-dimethoxyphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 2829078
4-[(E)-[[4-amino-5-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,2,4-triazol-3-yl]hydrazinylidene]methyl]phenol
CID 135838346
4-chloro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135684788
N-[(Z)-1H-pyrrol-2-ylmethylideneamino]-2H-tetrazol-5-amine
CID 137127491
2-chloro-6-methoxy-4-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 136742487
4-[(Z)-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)hydrazinylidene]methyl]phenol
CID 135890939
N-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 19617455

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol (CID 135400458) is 4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol is Oc1ccc(/C=N/Nc2nn[nH]n2)cc1.
What is the InChIKey of 4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol?
The InChIKey is KHEWKNZODDGTAV-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H8N6O/c15-7-3-1-6(2-4-7)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 4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol?
4-[(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 4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135400458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).