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

C19H18N6O2 — CID 154580087

IUPAC(6S)-4-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(NCCc1ccccn1)c1nnn2c1C(=O)N[C@@H](c1ccccc1)C2
InChIInChI=1S/C19H18N6O2/c26-18(21-11-9-14-8-4-5-10-20-14)16-17-19(27)22-15(12-25(17)24-23-16)13-6-2-1-3-7-13/h1-8,10,15H,9,11-12H2,(H,21,26)(H,22,27)/t15-/m1/s1
InChIKeyORSIKXXXFCEUBJ-OAHLLOKOSA-N
MW362.39 g/mol
LogP1.13
Rot. Bonds5

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

(6S)-4-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 154580087) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is (6S)-4-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name(6S)-4-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID154580087
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name(6S)-4-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(NCCc1ccccn1)c1nnn2c1C(=O)N[C@@H](c1ccccc1)C2
InChIInChI=1S/C19H18N6O2/c26-18(21-11-9-14-8-4-5-10-20-14)16-17-19(27)22-15(12-25(17)24-23-16)13-6-2-1-3-7-13/h1-8,10,15H,9,11-12H2,(H,21,26)(H,22,27)/t15-/m1/s1
InChIKeyORSIKXXXFCEUBJ-OAHLLOKOSA-N
XLogP1.13
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 95104807
6-methyl-4-oxo-N-(2-phenoxyethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
CID 171150251
6-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 91893771
2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 95104964
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61185230
4-oxo-3-phenyl-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide
CID 46652657
(2R)-6-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide
CID 137054651
6-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxamide
CID 136661864
N-[(2-methylphenyl)methyl]-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
CID 171150370
(6S)-N-[3-[benzyl(methyl)amino]propyl]-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
CID 154580289
6-(2-methylpropyl)-4-oxo-N-(2-thiophen-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
CID 171150338

Frequently Asked Questions

What is the IUPAC name of (6S)-4-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of (6S)-4-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide (CID 154580087) is (6S)-4-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for (6S)-4-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for (6S)-4-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide is O=C(NCCc1ccccn1)c1nnn2c1C(=O)N[C@@H](c1ccccc1)C2.
What is the InChIKey of (6S)-4-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is ORSIKXXXFCEUBJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H18N6O2/c26-18(21-11-9-14-8-4-5-10-20-14)16-17-19(27)22-15(12-25(17)24-23-16)13-6-2-1-3-7-13/h1-8,10,15H,9,11-12H2,(H,21,26)(H,22,27)/t15-/m1/s1.
What are the key properties of (6S)-4-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
(6S)-4-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 154580087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).