ethoxy(triazol-4-ylidene)methanolate

C5H6N3O2- — CID 102106143

IUPACethoxy(triazol-4-ylidene)methanolate
SMILESCCOC([O-])=C1C=NN=N1
InChIInChI=1S/C5H7N3O2/c1-2-10-5(9)4-3-6-8-7-4/h3,9H,2H2,1H3/p-1
InChIKeyDGJDLVLONCCWQQ-UHFFFAOYSA-M
MW140.12 g/mol
LogP0.00
Rot. Bonds2

About ethoxy(triazol-4-ylidene)methanolate

ethoxy(triazol-4-ylidene)methanolate (PubChem CID 102106143) has the molecular formula C5H6N3O2- and a molecular weight of 140.12 g/mol. Its IUPAC name is ethoxy(triazol-4-ylidene)methanolate.

Molecular Properties

Compound Nameethoxy(triazol-4-ylidene)methanolate
PubChem CID102106143
Molecular FormulaC5H6N3O2-
Molecular Weight140.12 g/mol
Exact Mass140.05
IUPAC Nameethoxy(triazol-4-ylidene)methanolate
SMILESCCOC([O-])=C1C=NN=N1
InChIInChI=1S/C5H7N3O2/c1-2-10-5(9)4-3-6-8-7-4/h3,9H,2H2,1H3/p-1
InChIKeyDGJDLVLONCCWQQ-UHFFFAOYSA-M
XLogP0.00
TPSA69.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.12
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze ethoxy(triazol-4-ylidene)methanolate 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

sodium cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate
CID 23697899
1-cyclopenta-2,4-dien-1-ylideneethanolate;cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate;iron(2+)
CID 159636847
(E)-ethoxy-[(15E)-15-[ethoxy(oxido)methylidene]-3,16-dimethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,5,7,9,11,13,16,18,20-decaen-4-ylidene]methanolate;iron(2+)
CID 51346239
5-ethoxycarbonylpyrazine-2-carboxylate
CID 86656579
O-ethyl N-pyridin-4-ylcarbamothioate
CID 14528943
tris(1-ethoxyethenyl)indigane
CID 177444077
copper(1+);1-ethoxyethenolate
CID 73187688
ethyl 3-methyl-1,1-dioxo-3,6-dihydro-2H-1,2,6-thiadiazine-4-carboxylate
CID 166710108
potassium 2-ethoxy-2-oxoacetate
CID 23678856
ethyl (2S)-2-[4-(trimethyl-λ4-sulfanyl)phenyl]propanoate
CID 146342720
ethoxy-(5-ethoxycarbonyl-3,4-dimethylphosphol-2-ylidene)methanolate
CID 134976075
ethyl 5-cyano-4-cycloheptyl-6-methyl-1,4-dihydropyridine-3-carboxylate
CID 19374805

Frequently Asked Questions

What is the IUPAC name of ethoxy(triazol-4-ylidene)methanolate?
The IUPAC name of ethoxy(triazol-4-ylidene)methanolate (CID 102106143) is ethoxy(triazol-4-ylidene)methanolate.
What is the SMILES notation for ethoxy(triazol-4-ylidene)methanolate?
The canonical SMILES for ethoxy(triazol-4-ylidene)methanolate is CCOC([O-])=C1C=NN=N1.
What is the InChIKey of ethoxy(triazol-4-ylidene)methanolate?
The InChIKey is DGJDLVLONCCWQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7N3O2/c1-2-10-5(9)4-3-6-8-7-4/h3,9H,2H2,1H3/p-1.
What are the key properties of ethoxy(triazol-4-ylidene)methanolate?
ethoxy(triazol-4-ylidene)methanolate has a molecular weight of 140.12 g/mol, XLogP of 0.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(triazol-4-ylidene)methanolate is sourced from PubChem (CID 102106143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).