2-methoxy-6-[[(1-phenyltetrazol-5-yl)hydrazinylidene]methyl]phenol

C15H14N6O2 — CID 136832260

IUPAC2-methoxy-6-[[(1-phenyltetrazol-5-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cccc(C=NNc2nnnn2-c2ccccc2)c1O
InChIInChI=1S/C15H14N6O2/c1-23-13-9-5-6-11(14(13)22)10-16-17-15-18-19-20-21(15)12-7-3-2-4-8-12/h2-10,22H,1H3,(H,17,18,20)
InChIKeyLJYYTNQWZAQTFU-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.82
Rot. Bonds5

About 2-methoxy-6-[[(1-phenyltetrazol-5-yl)hydrazinylidene]methyl]phenol

2-methoxy-6-[[(1-phenyltetrazol-5-yl)hydrazinylidene]methyl]phenol (PubChem CID 136832260) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-methoxy-6-[[(1-phenyltetrazol-5-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[(1-phenyltetrazol-5-yl)hydrazinylidene]methyl]phenol
PubChem CID136832260
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Name2-methoxy-6-[[(1-phenyltetrazol-5-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cccc(C=NNc2nnnn2-c2ccccc2)c1O
InChIInChI=1S/C15H14N6O2/c1-23-13-9-5-6-11(14(13)22)10-16-17-15-18-19-20-21(15)12-7-3-2-4-8-12/h2-10,22H,1H3,(H,17,18,20)
InChIKeyLJYYTNQWZAQTFU-UHFFFAOYSA-N
XLogP1.82
TPSA97.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

2-methoxy-6-[[(1-phenyltetrazol-5-yl)amino]methyl]phenol
CID 133448175
2-[(E)-(5-anilinotetrazol-1-yl)iminomethyl]-6-methoxyphenol
CID 135951033
2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
CID 135411529
2-methoxy-6-[[3-(tetrazol-1-yl)phenyl]iminomethyl]phenol
CID 135758368
2-methoxy-6-[(Z)-([1,2,4]triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol
CID 135956141
2-[[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 3092883
2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 948077
2-[(Z)-[(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazinylidene]methyl]-6-methoxyphenol
CID 136912815
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
2-methoxy-6-[(E)-[(1-methylpyridin-1-ium-4-yl)hydrazinylidene]methyl]phenol
CID 137279180
2-methoxy-6-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135675966
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[(1-phenyltetrazol-5-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[(1-phenyltetrazol-5-yl)hydrazinylidene]methyl]phenol (CID 136832260) is 2-methoxy-6-[[(1-phenyltetrazol-5-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[(1-phenyltetrazol-5-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[(1-phenyltetrazol-5-yl)hydrazinylidene]methyl]phenol is COc1cccc(C=NNc2nnnn2-c2ccccc2)c1O.
What is the InChIKey of 2-methoxy-6-[[(1-phenyltetrazol-5-yl)hydrazinylidene]methyl]phenol?
The InChIKey is LJYYTNQWZAQTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c1-23-13-9-5-6-11(14(13)22)10-16-17-15-18-19-20-21(15)12-7-3-2-4-8-12/h2-10,22H,1H3,(H,17,18,20).
What are the key properties of 2-methoxy-6-[[(1-phenyltetrazol-5-yl)hydrazinylidene]methyl]phenol?
2-methoxy-6-[[(1-phenyltetrazol-5-yl)hydrazinylidene]methyl]phenol has a molecular weight of 310.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[(1-phenyltetrazol-5-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136832260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).