1-[(Z)-1,2,4-triazol-1-yliminomethyl]naphthalen-2-ol

C13H10N4O — CID 136759633

IUPAC1-[(Z)-1,2,4-triazol-1-yliminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N\n1cncn1
InChIInChI=1S/C13H10N4O/c18-13-6-5-10-3-1-2-4-11(10)12(13)7-15-17-9-14-8-16-17/h1-9,18H/b15-7-
InChIKeyVMGXUDGLVWNQOK-CHHVJCJISA-N
MW238.25 g/mol
LogP2.02
Rot. Bonds2

About 1-[(Z)-1,2,4-triazol-1-yliminomethyl]naphthalen-2-ol

1-[(Z)-1,2,4-triazol-1-yliminomethyl]naphthalen-2-ol (PubChem CID 136759633) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-[(Z)-1,2,4-triazol-1-yliminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(Z)-1,2,4-triazol-1-yliminomethyl]naphthalen-2-ol
PubChem CID136759633
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name1-[(Z)-1,2,4-triazol-1-yliminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N\n1cncn1
InChIInChI=1S/C13H10N4O/c18-13-6-5-10-3-1-2-4-11(10)12(13)7-15-17-9-14-8-16-17/h1-9,18H/b15-7-
InChIKeyVMGXUDGLVWNQOK-CHHVJCJISA-N
XLogP2.02
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
1-[(E)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]naphthalen-2-ol
CID 135771174
(E)-1-(1H-indol-3-yl)-N-(1,2,4-triazol-1-yl)methanimine
CID 135614731
1-(propan-2-yliminomethyl)naphthalen-2-ol
CID 4779256
1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol
CID 136675821
1-[(E)-(4-chlorophenyl)sulfanyliminomethyl]naphthalen-2-ol
CID 135747261
4-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 136673038
5-(diethylamino)-2-[(E)-1,2,4-triazol-1-yliminomethyl]phenol
CID 137309899
1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol
CID 3576819
1-[(Z)-(diphenylhydrazinylidene)methyl]naphthalen-2-ol
CID 136690442
1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol
CID 4545567
4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 135716311

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1,2,4-triazol-1-yliminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(Z)-1,2,4-triazol-1-yliminomethyl]naphthalen-2-ol (CID 136759633) is 1-[(Z)-1,2,4-triazol-1-yliminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(Z)-1,2,4-triazol-1-yliminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(Z)-1,2,4-triazol-1-yliminomethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N\n1cncn1.
What is the InChIKey of 1-[(Z)-1,2,4-triazol-1-yliminomethyl]naphthalen-2-ol?
The InChIKey is VMGXUDGLVWNQOK-CHHVJCJISA-N. The full InChI is InChI=1S/C13H10N4O/c18-13-6-5-10-3-1-2-4-11(10)12(13)7-15-17-9-14-8-16-17/h1-9,18H/b15-7-.
What are the key properties of 1-[(Z)-1,2,4-triazol-1-yliminomethyl]naphthalen-2-ol?
1-[(Z)-1,2,4-triazol-1-yliminomethyl]naphthalen-2-ol has a molecular weight of 238.25 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1,2,4-triazol-1-yliminomethyl]naphthalen-2-ol is sourced from PubChem (CID 136759633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).