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

C17H23N3O4 — CID 156890071

IUPACmethyl 2-[4-(1-cyclopropyloxyethyl)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetate
SMILESCOC(=O)Cn1nc(C(C)OC2CC2)n2cc(C(C)C)cc2c1=O
InChIInChI=1S/C17H23N3O4/c1-10(2)12-7-14-17(22)20(9-15(21)23-4)18-16(19(14)8-12)11(3)24-13-5-6-13/h7-8,10-11,13H,5-6,9H2,1-4H3
InChIKeyXSHUYZIWVKRZIR-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.03
Rot. Bonds6

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

methyl 2-[4-(1-cyclopropyloxyethyl)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetate (PubChem CID 156890071) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is methyl 2-[4-(1-cyclopropyloxyethyl)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(1-cyclopropyloxyethyl)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetate
PubChem CID156890071
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Namemethyl 2-[4-(1-cyclopropyloxyethyl)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetate
SMILESCOC(=O)Cn1nc(C(C)OC2CC2)n2cc(C(C)C)cc2c1=O
InChIInChI=1S/C17H23N3O4/c1-10(2)12-7-14-17(22)20(9-15(21)23-4)18-16(19(14)8-12)11(3)24-13-5-6-13/h7-8,10-11,13H,5-6,9H2,1-4H3
InChIKeyXSHUYZIWVKRZIR-UHFFFAOYSA-N
XLogP2.03
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-(1-cyclopropyloxyethyl)-2-(2-hydroxyethyl)-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-1-one
CID 166804204
methyl 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetate
CID 166803303
ethyl 2-[4-(1-acetamidoethyl)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetate
CID 156890315
ethyl 2-(4-acetyl-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetate
CID 156890074
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
2-[7-(1-methoxyethyl)-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]-N-pyrimidin-4-ylacetamide
CID 156890076
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
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-(2-acetyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetate
CID 159692549
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-(2-methoxyethyl)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]-N-pyrimidin-4-ylacetamide
CID 156890100
2-(1-oxo-7-phenyl-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)acetic acid
CID 156890152

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(1-cyclopropyloxyethyl)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(1-cyclopropyloxyethyl)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetate (CID 156890071) is methyl 2-[4-(1-cyclopropyloxyethyl)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(1-cyclopropyloxyethyl)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(1-cyclopropyloxyethyl)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetate is COC(=O)Cn1nc(C(C)OC2CC2)n2cc(C(C)C)cc2c1=O.
What is the InChIKey of methyl 2-[4-(1-cyclopropyloxyethyl)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetate?
The InChIKey is XSHUYZIWVKRZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-10(2)12-7-14-17(22)20(9-15(21)23-4)18-16(19(14)8-12)11(3)24-13-5-6-13/h7-8,10-11,13H,5-6,9H2,1-4H3.
What are the key properties of methyl 2-[4-(1-cyclopropyloxyethyl)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetate?
methyl 2-[4-(1-cyclopropyloxyethyl)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetate has a molecular weight of 333.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(1-cyclopropyloxyethyl)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]acetate is sourced from PubChem (CID 156890071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).