ethyl 2-(4-acetyl-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate

C15H19N3O4 — CID 156890074

IUPACethyl 2-(4-acetyl-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate
SMILESCCOC(=O)Cn1nc(C(C)=O)n2cc(C(C)C)cc2c1=O
InChIInChI=1S/C15H19N3O4/c1-5-22-13(20)8-18-15(21)12-6-11(9(2)3)7-17(12)14(16-18)10(4)19/h6-7,9H,5,8H2,1-4H3
InChIKeyJTMHAFZFTAMPLF-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.39
Rot. Bonds5

About ethyl 2-(4-acetyl-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate

ethyl 2-(4-acetyl-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate (PubChem CID 156890074) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is ethyl 2-(4-acetyl-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-acetyl-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate
PubChem CID156890074
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Nameethyl 2-(4-acetyl-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate
SMILESCCOC(=O)Cn1nc(C(C)=O)n2cc(C(C)C)cc2c1=O
InChIInChI=1S/C15H19N3O4/c1-5-22-13(20)8-18-15(21)12-6-11(9(2)3)7-17(12)14(16-18)10(4)19/h6-7,9H,5,8H2,1-4H3
InChIKeyJTMHAFZFTAMPLF-UHFFFAOYSA-N
XLogP1.39
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-(4-acetyl-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate with MolForge

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Related Compounds

ethyl 2-[4-(1-acetamidoethyl)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetate
CID 156890315
tert-butyl 3-[2-(2-ethoxy-2-oxoethyl)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-yl]azetidine-1-carboxylate
CID 156890168
ethyl 2-(2-acetyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetate
CID 159692549
methyl 2-[4-(1-cyclopropyloxyethyl)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetate
CID 156890071
2-[4-[ethyl(methyl)amino]-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetic acid
CID 156890301
ethyl 2-(4-fluoro-9-oxo-12-propan-2-yl-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)acetate
CID 146342881
ethyl 2-[2-(2,2-difluorocyclopropyl)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]acetate
CID 166518349
2-[4-(3-hydroxy-3-methylcyclobutyl)-2-oxobutyl]-4,7-di(propan-2-yl)pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 170000309
4-(1-cyclopropyloxyethyl)-2-(2-hydroxyethyl)-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-one
CID 166804204
ethyl 2-(4-amino-5-oxo-3-propan-2-yl-1,2,4-triazol-1-yl)acetate
CID 13435509
ethyl 2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetate
CID 162363975
2-(4-butyl-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(3-hydroxy-3-methylcyclobutyl)-N-methylacetamide
CID 170000811

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-acetyl-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate?
The IUPAC name of ethyl 2-(4-acetyl-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate (CID 156890074) is ethyl 2-(4-acetyl-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4-acetyl-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate?
The canonical SMILES for ethyl 2-(4-acetyl-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate is CCOC(=O)Cn1nc(C(C)=O)n2cc(C(C)C)cc2c1=O.
What is the InChIKey of ethyl 2-(4-acetyl-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate?
The InChIKey is JTMHAFZFTAMPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-5-22-13(20)8-18-15(21)12-6-11(9(2)3)7-17(12)14(16-18)10(4)19/h6-7,9H,5,8H2,1-4H3.
What are the key properties of ethyl 2-(4-acetyl-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate?
ethyl 2-(4-acetyl-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate has a molecular weight of 305.33 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-acetyl-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate is sourced from PubChem (CID 156890074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).