3-[2-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethyl]-1,3-oxazolidin-2-one

C12H17N5O3 — CID 74238756

IUPAC3-[2-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCc1nnc2n1C(C)CN(C(=O)CN1CCOC1=O)C2
InChIInChI=1S/C12H17N5O3/c1-8-5-16(6-10-14-13-9(2)17(8)10)11(18)7-15-3-4-20-12(15)19/h8H,3-7H2,1-2H3
InChIKeyGZPCLHHVIJCXSD-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.06
Rot. Bonds2

About 3-[2-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 74238756) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-[2-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID74238756
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name3-[2-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCc1nnc2n1C(C)CN(C(=O)CN1CCOC1=O)C2
InChIInChI=1S/C12H17N5O3/c1-8-5-16(6-10-14-13-9(2)17(8)10)11(18)7-15-3-4-20-12(15)19/h8H,3-7H2,1-2H3
InChIKeyGZPCLHHVIJCXSD-UHFFFAOYSA-N
XLogP-0.06
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethyl]-1,3-oxazolidin-2-one (CID 74238756) is 3-[2-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethyl]-1,3-oxazolidin-2-one is Cc1nnc2n1C(C)CN(C(=O)CN1CCOC1=O)C2.
What is the InChIKey of 3-[2-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is GZPCLHHVIJCXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-8-5-16(6-10-14-13-9(2)17(8)10)11(18)7-15-3-4-20-12(15)19/h8H,3-7H2,1-2H3.
What are the key properties of 3-[2-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 279.30 g/mol, XLogP of -0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 74238756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).