4-[(E)-[(1-naphthalen-1-yltetrazol-5-yl)hydrazinylidene]methyl]phenol

C18H14N6O — CID 135799290

IUPAC4-[(E)-[(1-naphthalen-1-yltetrazol-5-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/Nc2nnnn2-c2cccc3ccccc23)cc1
InChIInChI=1S/C18H14N6O/c25-15-10-8-13(9-11-15)12-19-20-18-21-22-23-24(18)17-7-3-5-14-4-1-2-6-16(14)17/h1-12,25H,(H,20,21,23)/b19-12+
InChIKeySCPKHSVYKDOQPK-XDHOZWIPSA-N
MW330.35 g/mol
LogP2.97
Rot. Bonds4

About 4-[(E)-[(1-naphthalen-1-yltetrazol-5-yl)hydrazinylidene]methyl]phenol

4-[(E)-[(1-naphthalen-1-yltetrazol-5-yl)hydrazinylidene]methyl]phenol (PubChem CID 135799290) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is 4-[(E)-[(1-naphthalen-1-yltetrazol-5-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[(1-naphthalen-1-yltetrazol-5-yl)hydrazinylidene]methyl]phenol
PubChem CID135799290
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Name4-[(E)-[(1-naphthalen-1-yltetrazol-5-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/Nc2nnnn2-c2cccc3ccccc23)cc1
InChIInChI=1S/C18H14N6O/c25-15-10-8-13(9-11-15)12-19-20-18-21-22-23-24(18)17-7-3-5-14-4-1-2-6-16(14)17/h1-12,25H,(H,20,21,23)/b19-12+
InChIKeySCPKHSVYKDOQPK-XDHOZWIPSA-N
XLogP2.97
TPSA88.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

1-naphthalen-1-yl-N-(pyridin-4-ylmethylideneamino)tetrazol-5-amine
CID 5202721
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-naphthalen-1-yltetrazol-5-amine
CID 6069357
4-[(E)-[[4-amino-5-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,2,4-triazol-3-yl]hydrazinylidene]methyl]phenol
CID 135838346
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 71588657
4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135400458
4-[(Z)-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)hydrazinylidene]methyl]phenol
CID 135890939
N-[(2-hydroxyphenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 137228450
N-[(E)-(3-chlorophenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 71588654
2-methoxy-6-[[(1-phenyltetrazol-5-yl)hydrazinylidene]methyl]phenol
CID 136832260
4-[(Z)-[(6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol
CID 135446615
4-(1-naphthalen-1-yltriazol-4-yl)phenol
CID 52947273
3-(1-naphthalen-1-yltetrazol-5-yl)propan-1-amine
CID 82228115

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(1-naphthalen-1-yltetrazol-5-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[(1-naphthalen-1-yltetrazol-5-yl)hydrazinylidene]methyl]phenol (CID 135799290) is 4-[(E)-[(1-naphthalen-1-yltetrazol-5-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[(1-naphthalen-1-yltetrazol-5-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[(1-naphthalen-1-yltetrazol-5-yl)hydrazinylidene]methyl]phenol is Oc1ccc(/C=N/Nc2nnnn2-c2cccc3ccccc23)cc1.
What is the InChIKey of 4-[(E)-[(1-naphthalen-1-yltetrazol-5-yl)hydrazinylidene]methyl]phenol?
The InChIKey is SCPKHSVYKDOQPK-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H14N6O/c25-15-10-8-13(9-11-15)12-19-20-18-21-22-23-24(18)17-7-3-5-14-4-1-2-6-16(14)17/h1-12,25H,(H,20,21,23)/b19-12+.
What are the key properties of 4-[(E)-[(1-naphthalen-1-yltetrazol-5-yl)hydrazinylidene]methyl]phenol?
4-[(E)-[(1-naphthalen-1-yltetrazol-5-yl)hydrazinylidene]methyl]phenol has a molecular weight of 330.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(1-naphthalen-1-yltetrazol-5-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135799290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).