6-(2-methylpropyl)-4-oxo-N-(2-thiophen-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide

C16H21N5O2S — CID 171150338

IUPAC6-(2-methylpropyl)-4-oxo-N-(2-thiophen-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(C)CC1Cn2nnc(C(=O)NCCc3cccs3)c2C(=O)N1
InChIInChI=1S/C16H21N5O2S/c1-10(2)8-11-9-21-14(16(23)18-11)13(19-20-21)15(22)17-6-5-12-4-3-7-24-12/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,17,22)(H,18,23)
InChIKeyVFUODKPFCMFGBX-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.47
Rot. Bonds6

About 6-(2-methylpropyl)-4-oxo-N-(2-thiophen-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide

6-(2-methylpropyl)-4-oxo-N-(2-thiophen-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 171150338) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 6-(2-methylpropyl)-4-oxo-N-(2-thiophen-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methylpropyl)-4-oxo-N-(2-thiophen-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID171150338
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name6-(2-methylpropyl)-4-oxo-N-(2-thiophen-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(C)CC1Cn2nnc(C(=O)NCCc3cccs3)c2C(=O)N1
InChIInChI=1S/C16H21N5O2S/c1-10(2)8-11-9-21-14(16(23)18-11)13(19-20-21)15(22)17-6-5-12-4-3-7-24-12/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,17,22)(H,18,23)
InChIKeyVFUODKPFCMFGBX-UHFFFAOYSA-N
XLogP1.47
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-4-oxo-N-(2-thiophen-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 6-(2-methylpropyl)-4-oxo-N-(2-thiophen-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide (CID 171150338) is 6-(2-methylpropyl)-4-oxo-N-(2-thiophen-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 6-(2-methylpropyl)-4-oxo-N-(2-thiophen-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 6-(2-methylpropyl)-4-oxo-N-(2-thiophen-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide is CC(C)CC1Cn2nnc(C(=O)NCCc3cccs3)c2C(=O)N1.
What is the InChIKey of 6-(2-methylpropyl)-4-oxo-N-(2-thiophen-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is VFUODKPFCMFGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-10(2)8-11-9-21-14(16(23)18-11)13(19-20-21)15(22)17-6-5-12-4-3-7-24-12/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,17,22)(H,18,23).
What are the key properties of 6-(2-methylpropyl)-4-oxo-N-(2-thiophen-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
6-(2-methylpropyl)-4-oxo-N-(2-thiophen-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-4-oxo-N-(2-thiophen-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 171150338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).