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

C15H17N5O3 — CID 171150251

IUPAC6-methyl-4-oxo-N-(2-phenoxyethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC1Cn2nnc(C(=O)NCCOc3ccccc3)c2C(=O)N1
InChIInChI=1S/C15H17N5O3/c1-10-9-20-13(15(22)17-10)12(18-19-20)14(21)16-7-8-23-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,21)(H,17,22)
InChIKeyRJGLOGVQYGCGJQ-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.22
Rot. Bonds5

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

6-methyl-4-oxo-N-(2-phenoxyethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 171150251) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-(2-phenoxyethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-(2-phenoxyethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID171150251
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name6-methyl-4-oxo-N-(2-phenoxyethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC1Cn2nnc(C(=O)NCCOc3ccccc3)c2C(=O)N1
InChIInChI=1S/C15H17N5O3/c1-10-9-20-13(15(22)17-10)12(18-19-20)14(21)16-7-8-23-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,21)(H,17,22)
InChIKeyRJGLOGVQYGCGJQ-UHFFFAOYSA-N
XLogP0.22
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-(2-phenoxyethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-(2-phenoxyethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide (CID 171150251) is 6-methyl-4-oxo-N-(2-phenoxyethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-(2-phenoxyethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-(2-phenoxyethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide is CC1Cn2nnc(C(=O)NCCOc3ccccc3)c2C(=O)N1.
What is the InChIKey of 6-methyl-4-oxo-N-(2-phenoxyethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is RJGLOGVQYGCGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-10-9-20-13(15(22)17-10)12(18-19-20)14(21)16-7-8-23-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,21)(H,17,22).
What are the key properties of 6-methyl-4-oxo-N-(2-phenoxyethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
6-methyl-4-oxo-N-(2-phenoxyethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-(2-phenoxyethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 171150251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).