methyl 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetate

C14H18N4O3 — CID 166803303

IUPACmethyl 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetate
SMILESCOC(=O)Cn1nc(C(C)C)n2nc(C3CC3)cc2c1=O
InChIInChI=1S/C14H18N4O3/c1-8(2)13-16-17(7-12(19)21-3)14(20)11-6-10(9-4-5-9)15-18(11)13/h6,8-9H,4-5,7H2,1-3H3
InChIKeyTVUYIGGBPYRWRD-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.06
Rot. Bonds4

About methyl 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetate

methyl 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetate (PubChem CID 166803303) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetate
PubChem CID166803303
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Namemethyl 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetate
SMILESCOC(=O)Cn1nc(C(C)C)n2nc(C3CC3)cc2c1=O
InChIInChI=1S/C14H18N4O3/c1-8(2)13-16-17(7-12(19)21-3)14(20)11-6-10(9-4-5-9)15-18(11)13/h6,8-9H,4-5,7H2,1-3H3
InChIKeyTVUYIGGBPYRWRD-UHFFFAOYSA-N
XLogP1.06
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetate?
The IUPAC name of methyl 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetate (CID 166803303) is methyl 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetate.
What is the SMILES notation for methyl 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetate?
The canonical SMILES for methyl 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetate is COC(=O)Cn1nc(C(C)C)n2nc(C3CC3)cc2c1=O.
What is the InChIKey of methyl 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetate?
The InChIKey is TVUYIGGBPYRWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-8(2)13-16-17(7-12(19)21-3)14(20)11-6-10(9-4-5-9)15-18(11)13/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of methyl 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetate?
methyl 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetate has a molecular weight of 290.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetate is sourced from PubChem (CID 166803303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).