3-ethyl-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazol-5-one

C15H14N4O2 — CID 135493982

IUPAC3-ethyl-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazol-5-one
SMILESCCc1n[nH]c(=O)n1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C15H14N4O2/c1-2-14-17-18-15(21)19(14)16-9-12-11-6-4-3-5-10(11)7-8-13(12)20/h3-9,20H,2H2,1H3,(H,18,21)/b16-9+
InChIKeyXUKUKFOUKQSITG-CXUHLZMHSA-N
MW282.30 g/mol
LogP1.87
Rot. Bonds3

About 3-ethyl-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazol-5-one

3-ethyl-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazol-5-one (PubChem CID 135493982) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-ethyl-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-ethyl-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazol-5-one
PubChem CID135493982
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name3-ethyl-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazol-5-one
SMILESCCc1n[nH]c(=O)n1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C15H14N4O2/c1-2-14-17-18-15(21)19(14)16-9-12-11-6-4-3-5-10(11)7-8-13(12)20/h3-9,20H,2H2,1H3,(H,18,21)/b16-9+
InChIKeyXUKUKFOUKQSITG-CXUHLZMHSA-N
XLogP1.87
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
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'}

Analyze 3-ethyl-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Hydroxy-1-naphthaldehyde thiosemicarbazone
CID 135400403
2-Hydroxy-1-naphthaldehyde N-ethylthiosemicarbazone
CID 135493221
N-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]formamide
CID 135676247
2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(1E)-(2-hydroxy-1-naphthyl)methylene]acetohydrazide
CID 135412032
1-{[(3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)imino]methyl}-2-naphthol
CID 135490168
1-{[(3-ethyl-5-mercapto-4H-1,2,4-triazol-4-yl)imino]methyl}-2-naphthol
CID 135495594
[(2-Oxonaphthalen-1-ylidene)methylamino]urea
CID 135606556
1-[(E)-(methylhydrazinylidene)methyl]naphthalen-2-ol
CID 135676008
Acetic (2-hydroxy-1-naphthylmethylene)hydrazide
CID 135715601
Acetic acid, 2-[(2-hydroxy-1-naphthalenyl)methylene]hydrazide
CID 3348874
2-Hydroxynaphthaldehyd-thiosemicarbazon
CID 690751
3-benzyl-4-[(E)-(2-hydroxy-1-naphthyl)methyleneamino]-1H-1,2,4-triazol-5-one
CID 135509212

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-ethyl-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazol-5-one (CID 135493982) is 3-ethyl-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-ethyl-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-ethyl-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazol-5-one is CCc1n[nH]c(=O)n1/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 3-ethyl-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazol-5-one?
The InChIKey is XUKUKFOUKQSITG-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-2-14-17-18-15(21)19(14)16-9-12-11-6-4-3-5-10(11)7-8-13(12)20/h3-9,20H,2H2,1H3,(H,18,21)/b16-9+.
What are the key properties of 3-ethyl-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazol-5-one?
3-ethyl-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazol-5-one has a molecular weight of 282.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 135493982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).