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

C16H19N5O2 — CID 154580030

IUPAC(6S)-N,6-dimethyl-4-oxo-N-(2-phenylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESC[C@H]1Cn2nnc(C(=O)N(C)CCc3ccccc3)c2C(=O)N1
InChIInChI=1S/C16H19N5O2/c1-11-10-21-14(15(22)17-11)13(18-19-21)16(23)20(2)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,17,22)/t11-/m0/s1
InChIKeyLUZRELBAXSBMKE-NSHDSACASA-N
MW313.36 g/mol
LogP0.72
Rot. Bonds4

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

(6S)-N,6-dimethyl-4-oxo-N-(2-phenylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 154580030) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (6S)-N,6-dimethyl-4-oxo-N-(2-phenylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name(6S)-N,6-dimethyl-4-oxo-N-(2-phenylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID154580030
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name(6S)-N,6-dimethyl-4-oxo-N-(2-phenylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESC[C@H]1Cn2nnc(C(=O)N(C)CCc3ccccc3)c2C(=O)N1
InChIInChI=1S/C16H19N5O2/c1-11-10-21-14(15(22)17-11)13(18-19-21)16(23)20(2)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,17,22)/t11-/m0/s1
InChIKeyLUZRELBAXSBMKE-NSHDSACASA-N
XLogP0.72
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
N,1-dimethyl-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 75461380
(6S)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-6-methyl-4-oxo-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
CID 154580057
2-cyclobutyl-N,5-dimethyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
CID 53195326
methyl 1-[[8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate
CID 25287404
N-[(2-methylphenyl)methyl]-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
CID 171150370
5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56880789
5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56863269
3-methyl-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782826
3-[[2-hydroxyethyl(methyl)amino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 56918888
N-methyl-N-(2-phenylethyl)-1-azabicyclo[3.3.1]non-3-ene-4-carboxamide
CID 141077616

Frequently Asked Questions

What is the IUPAC name of (6S)-N,6-dimethyl-4-oxo-N-(2-phenylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of (6S)-N,6-dimethyl-4-oxo-N-(2-phenylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide (CID 154580030) is (6S)-N,6-dimethyl-4-oxo-N-(2-phenylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for (6S)-N,6-dimethyl-4-oxo-N-(2-phenylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for (6S)-N,6-dimethyl-4-oxo-N-(2-phenylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide is C[C@H]1Cn2nnc(C(=O)N(C)CCc3ccccc3)c2C(=O)N1.
What is the InChIKey of (6S)-N,6-dimethyl-4-oxo-N-(2-phenylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is LUZRELBAXSBMKE-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N5O2/c1-11-10-21-14(15(22)17-11)13(18-19-21)16(23)20(2)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,17,22)/t11-/m0/s1.
What are the key properties of (6S)-N,6-dimethyl-4-oxo-N-(2-phenylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
(6S)-N,6-dimethyl-4-oxo-N-(2-phenylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N,6-dimethyl-4-oxo-N-(2-phenylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 154580030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).