ethyl 2-[8-(3,4-dichlorophenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-3-yl]acetate

C15H14Cl2N4O3 — CID 72696658

IUPACethyl 2-[8-(3,4-dichlorophenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-3-yl]acetate
SMILESCCOC(=O)Cc1nnc2n(c1=O)CCN2c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2N4O3/c1-2-24-13(22)8-12-14(23)21-6-5-20(15(21)19-18-12)9-3-4-10(16)11(17)7-9/h3-4,7H,2,5-6,8H2,1H3
InChIKeyBCHIHBRESRIOLH-UHFFFAOYSA-N
MW369.21 g/mol
LogP2.20
Rot. Bonds4

About ethyl 2-[8-(3,4-dichlorophenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-3-yl]acetate

ethyl 2-[8-(3,4-dichlorophenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-3-yl]acetate (PubChem CID 72696658) has the molecular formula C15H14Cl2N4O3 and a molecular weight of 369.21 g/mol. Its IUPAC name is ethyl 2-[8-(3,4-dichlorophenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[8-(3,4-dichlorophenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-3-yl]acetate
PubChem CID72696658
Molecular FormulaC15H14Cl2N4O3
Molecular Weight369.21 g/mol
Exact Mass368.04
IUPAC Nameethyl 2-[8-(3,4-dichlorophenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-3-yl]acetate
SMILESCCOC(=O)Cc1nnc2n(c1=O)CCN2c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2N4O3/c1-2-24-13(22)8-12-14(23)21-6-5-20(15(21)19-18-12)9-3-4-10(16)11(17)7-9/h3-4,7H,2,5-6,8H2,1H3
InChIKeyBCHIHBRESRIOLH-UHFFFAOYSA-N
XLogP2.20
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[8-(3,4-dichlorophenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-3-yl]acetate with MolForge

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Related Compounds

ethyl 1-(3,4-dichlorophenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
CID 11810355
ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate
CID 58972926
8-(4-ethoxyphenyl)-N-ethyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
CID 16861223
ethyl 1-(3,4-dichlorophenyl)triazole-4-carboxylate
CID 122241367
ethyl 2-[3-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]-5-fluoro-4-oxophthalazin-1-yl]acetate
CID 142710332
ethyl 2-(3-amino-6-chloro-2-methylphenyl)acetate
CID 171022151
ethyl 3-amino-2-(3,4-dichlorophenyl)-3-oxopropanoate
CID 70584243
ethyl 3-[(3,4-dichlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate
CID 129080208
ethyl 2-(3-chloro-5-hydroxy-2-pyridinyl)acetate
CID 133060978
ethyl 2-(3,4-dichlorophenyl)-3-oxo-1H-pyrazole-5-carboxylate
CID 23330093
4-amino-2-(3,4-dichlorophenyl)-5-methyl-1-propylpyrazol-3-one
CID 61272535
ethyl 2-[4,5-dichloro-2-(chloromethyl)phenyl]acetate
CID 171005942

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[8-(3,4-dichlorophenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-3-yl]acetate?
The IUPAC name of ethyl 2-[8-(3,4-dichlorophenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-3-yl]acetate (CID 72696658) is ethyl 2-[8-(3,4-dichlorophenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[8-(3,4-dichlorophenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-3-yl]acetate?
The canonical SMILES for ethyl 2-[8-(3,4-dichlorophenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-3-yl]acetate is CCOC(=O)Cc1nnc2n(c1=O)CCN2c1ccc(Cl)c(Cl)c1.
What is the InChIKey of ethyl 2-[8-(3,4-dichlorophenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-3-yl]acetate?
The InChIKey is BCHIHBRESRIOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O3/c1-2-24-13(22)8-12-14(23)21-6-5-20(15(21)19-18-12)9-3-4-10(16)11(17)7-9/h3-4,7H,2,5-6,8H2,1H3.
What are the key properties of ethyl 2-[8-(3,4-dichlorophenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-3-yl]acetate?
ethyl 2-[8-(3,4-dichlorophenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-3-yl]acetate has a molecular weight of 369.21 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[8-(3,4-dichlorophenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-3-yl]acetate is sourced from PubChem (CID 72696658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).