1-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]naphthalen-2-ol

C15H14N4O — CID 135457647

IUPAC1-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]naphthalen-2-ol
SMILESCc1nnc(C)n1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C15H14N4O/c1-10-17-18-11(2)19(10)16-9-14-13-6-4-3-5-12(13)7-8-15(14)20/h3-9,20H,1-2H3/b16-9+
InChIKeyUWEMYRIHIRTTMO-CXUHLZMHSA-N
MW266.30 g/mol
LogP2.64
Rot. Bonds2

About 1-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]naphthalen-2-ol

1-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]naphthalen-2-ol (PubChem CID 135457647) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]naphthalen-2-ol
PubChem CID135457647
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]naphthalen-2-ol
SMILESCc1nnc(C)n1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C15H14N4O/c1-10-17-18-11(2)19(10)16-9-14-13-6-4-3-5-12(13)7-8-15(14)20/h3-9,20H,1-2H3/b16-9+
InChIKeyUWEMYRIHIRTTMO-CXUHLZMHSA-N
XLogP2.64
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.64
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-((4H-1,2,4-Triazol-4-ylimino)methyl)-2-naphthol
CID 135449594
4-[(3,5-Dimethyl-[1,2,4]triazol-4-ylimino)-methyl]-phenol
CID 135457669
2-Allyl-6-{[(E)-3,5-dimethyl-[1,2,4]triazol-4-ylimino]-methyl}-phenol
CID 135457652
1-[(E)-(1H-1,2,4-Triazol-3-ylimino)methyl]-2-naphthol
CID 135580901
1-(1,2,4-Triazol-4-yliminomethyl)naphthalen-2-ol
CID 581889
3-[(Z)-[(3,5-Dimethyl-4H-1,2,4-triazol-4-YL)imino]methyl]phenol
CID 5402139
1-[(E)-(5-amino-4H-1,2,4-triazol-3-yl)iminomethyl]naphthalen-2-ol
CID 136252871
6-[[(3,5-Dimethyl-1,2,4-triazol-4-yl)amino]methylidene]-2-prop-2-enyl-1-cyclohexa-2,4-dienone
CID 760505
1-[(Z)-1,2,4-triazol-4-yliminomethyl]naphthalen-2-ol
CID 135873463
4-(1-ethyl-1H-1,2,4-triazol-5-yl)-1-naphthol
CID 137025364
1-(1H-1,2,4-triazol-5-yliminomethyl)naphthalen-2-ol
CID 613501
3-[(3,5-Dimethyl-1,2,4-triazol-4-yl)iminomethyl]phenol
CID 760470

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]naphthalen-2-ol (CID 135457647) is 1-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]naphthalen-2-ol is Cc1nnc(C)n1/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]naphthalen-2-ol?
The InChIKey is UWEMYRIHIRTTMO-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10-17-18-11(2)19(10)16-9-14-13-6-4-3-5-12(13)7-8-15(14)20/h3-9,20H,1-2H3/b16-9+.
What are the key properties of 1-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]naphthalen-2-ol?
1-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]naphthalen-2-ol has a molecular weight of 266.30 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 135457647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).