cyclohexyl 2-(1-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetate

C15H19N3O3 — CID 126468283

IUPACcyclohexyl 2-(1-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetate
SMILESCc1nn(CC(=O)OC2CCCCC2)c(=O)n2cccc12
InChIInChI=1S/C15H19N3O3/c1-11-13-8-5-9-17(13)15(20)18(16-11)10-14(19)21-12-6-3-2-4-7-12/h5,8-9,12H,2-4,6-7,10H2,1H3
InChIKeyMTDFCMLBYLCSBQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.68
Rot. Bonds3

About cyclohexyl 2-(1-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetate

cyclohexyl 2-(1-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetate (PubChem CID 126468283) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is cyclohexyl 2-(1-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetate.

Molecular Properties

Compound Namecyclohexyl 2-(1-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetate
PubChem CID126468283
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Namecyclohexyl 2-(1-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetate
SMILESCc1nn(CC(=O)OC2CCCCC2)c(=O)n2cccc12
InChIInChI=1S/C15H19N3O3/c1-11-13-8-5-9-17(13)15(20)18(16-11)10-14(19)21-12-6-3-2-4-7-12/h5,8-9,12H,2-4,6-7,10H2,1H3
InChIKeyMTDFCMLBYLCSBQ-UHFFFAOYSA-N
XLogP1.68
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(1-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetate?
The IUPAC name of cyclohexyl 2-(1-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetate (CID 126468283) is cyclohexyl 2-(1-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetate.
What is the SMILES notation for cyclohexyl 2-(1-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetate?
The canonical SMILES for cyclohexyl 2-(1-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetate is Cc1nn(CC(=O)OC2CCCCC2)c(=O)n2cccc12.
What is the InChIKey of cyclohexyl 2-(1-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetate?
The InChIKey is MTDFCMLBYLCSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11-13-8-5-9-17(13)15(20)18(16-11)10-14(19)21-12-6-3-2-4-7-12/h5,8-9,12H,2-4,6-7,10H2,1H3.
What are the key properties of cyclohexyl 2-(1-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetate?
cyclohexyl 2-(1-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetate has a molecular weight of 289.33 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(1-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)acetate is sourced from PubChem (CID 126468283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).