1-methyl-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one

C21H23N5O2 — CID 164688513

IUPAC1-methyl-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one
SMILESCC(C)[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1cccn(C)c1=O
InChIInChI=1S/C21H23N5O2/c1-14(2)17-19-22-18(15-8-5-4-6-9-15)23-26(19)13-12-25(17)21(28)16-10-7-11-24(3)20(16)27/h4-11,14,17H,12-13H2,1-3H3/t17-/m0/s1
InChIKeyHWCNBDPRXLZQFU-KRWDZBQOSA-N
MW377.45 g/mol
LogP2.50
Rot. Bonds3

About 1-methyl-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one

1-methyl-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one (PubChem CID 164688513) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-methyl-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one
PubChem CID164688513
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name1-methyl-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one
SMILESCC(C)[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1cccn(C)c1=O
InChIInChI=1S/C21H23N5O2/c1-14(2)17-19-22-18(15-8-5-4-6-9-15)23-26(19)13-12-25(17)21(28)16-10-7-11-24(3)20(16)27/h4-11,14,17H,12-13H2,1-3H3/t17-/m0/s1
InChIKeyHWCNBDPRXLZQFU-KRWDZBQOSA-N
XLogP2.50
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one
CID 164697667
1-methyl-5-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one
CID 164691158
(2,4-dimethyl-1,3-oxazol-5-yl)-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164695559
(5-cyclopropyl-1-methylpyrazol-3-yl)-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164695344
3-hydroxy-1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propan-1-one
CID 164695835
6-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazin-2-one
CID 164694721
(5-hydroxy-3-pyridinyl)-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164693252
[4-(aminomethyl)phenyl]-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone;hydrochloride
CID 171317425
(2,5-dimethyl-1H-imidazol-4-yl)-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164697805
1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyrazol-1-ylpropan-1-one
CID 165420861
[3-(dimethylamino)phenyl]-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164690495
2-cyclopropyl-1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone;formic acid
CID 166598940

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one (CID 164688513) is 1-methyl-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one is CC(C)[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1cccn(C)c1=O.
What is the InChIKey of 1-methyl-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one?
The InChIKey is HWCNBDPRXLZQFU-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14(2)17-19-22-18(15-8-5-4-6-9-15)23-26(19)13-12-25(17)21(28)16-10-7-11-24(3)20(16)27/h4-11,14,17H,12-13H2,1-3H3/t17-/m0/s1.
What are the key properties of 1-methyl-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one?
1-methyl-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one has a molecular weight of 377.45 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one is sourced from PubChem (CID 164688513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).