[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

C17H15N5O3 — CID 2482519

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCc1ccnc2nc(C(=O)OCC(=O)N3CCc4ccccc43)nn12
InChIInChI=1S/C17H15N5O3/c1-11-6-8-18-17-19-15(20-22(11)17)16(24)25-10-14(23)21-9-7-12-4-2-3-5-13(12)21/h2-6,8H,7,9-10H2,1H3
InChIKeyOHGTVOYEJNEKLM-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.18
Rot. Bonds3

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 2482519) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID2482519
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCc1ccnc2nc(C(=O)OCC(=O)N3CCc4ccccc43)nn12
InChIInChI=1S/C17H15N5O3/c1-11-6-8-18-17-19-15(20-22(11)17)16(24)25-10-14(23)21-9-7-12-4-2-3-5-13(12)21/h2-6,8H,7,9-10H2,1H3
InChIKeyOHGTVOYEJNEKLM-UHFFFAOYSA-N
XLogP1.18
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (CID 2482519) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is Cc1ccnc2nc(C(=O)OCC(=O)N3CCc4ccccc43)nn12.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is OHGTVOYEJNEKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-11-6-8-18-17-19-15(20-22(11)17)16(24)25-10-14(23)21-9-7-12-4-2-3-5-13(12)21/h2-6,8H,7,9-10H2,1H3.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 337.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 2482519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).