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

C19H24N6O2 — CID 154580082

IUPAC(6S)-4-oxo-6-phenyl-N-(2-piperidin-1-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(NCCN1CCCCC1)c1nnn2c1C(=O)N[C@@H](c1ccccc1)C2
InChIInChI=1S/C19H24N6O2/c26-18(20-9-12-24-10-5-2-6-11-24)16-17-19(27)21-15(13-25(17)23-22-16)14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,20,26)(H,21,27)/t15-/m1/s1
InChIKeyAYPCZEVFDLTPNT-OAHLLOKOSA-N
MW368.44 g/mol
LogP0.98
Rot. Bonds5

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

(6S)-4-oxo-6-phenyl-N-(2-piperidin-1-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 154580082) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is (6S)-4-oxo-6-phenyl-N-(2-piperidin-1-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name(6S)-4-oxo-6-phenyl-N-(2-piperidin-1-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID154580082
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name(6S)-4-oxo-6-phenyl-N-(2-piperidin-1-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(NCCN1CCCCC1)c1nnn2c1C(=O)N[C@@H](c1ccccc1)C2
InChIInChI=1S/C19H24N6O2/c26-18(20-9-12-24-10-5-2-6-11-24)16-17-19(27)21-15(13-25(17)23-22-16)14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,20,26)(H,21,27)/t15-/m1/s1
InChIKeyAYPCZEVFDLTPNT-OAHLLOKOSA-N
XLogP0.98
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(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
6-methyl-4-oxo-N-(2-phenoxyethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
CID 171150251
4-piperidin-1-yl-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide
CID 42690593
N-[(2-methylphenyl)methyl]-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
CID 171150370
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769
N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377294
N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2219273
6-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 91893778
2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide
CID 97445389
N-[2-(3-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 72921846
(6S)-N-(1H-benzimidazol-2-ylmethyl)-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
CID 154582361
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366

Frequently Asked Questions

What is the IUPAC name of (6S)-4-oxo-6-phenyl-N-(2-piperidin-1-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of (6S)-4-oxo-6-phenyl-N-(2-piperidin-1-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide (CID 154580082) is (6S)-4-oxo-6-phenyl-N-(2-piperidin-1-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-piperidin-1-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for (6S)-4-oxo-6-phenyl-N-(2-piperidin-1-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide is O=C(NCCN1CCCCC1)c1nnn2c1C(=O)N[C@@H](c1ccccc1)C2.
What is the InChIKey of (6S)-4-oxo-6-phenyl-N-(2-piperidin-1-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is AYPCZEVFDLTPNT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N6O2/c26-18(20-9-12-24-10-5-2-6-11-24)16-17-19(27)21-15(13-25(17)23-22-16)14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,20,26)(H,21,27)/t15-/m1/s1.
What are the key properties of (6S)-4-oxo-6-phenyl-N-(2-piperidin-1-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
(6S)-4-oxo-6-phenyl-N-(2-piperidin-1-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 0.98, 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-piperidin-1-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 154580082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).