(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

C20H24N6O — CID 164697805

IUPAC(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
SMILESCc1nc(C(=O)N2CCn3nc(-c4ccccc4)nc3[C@@H]2C(C)C)c(C)[nH]1
InChIInChI=1S/C20H24N6O/c1-12(2)17-19-23-18(15-8-6-5-7-9-15)24-26(19)11-10-25(17)20(27)16-13(3)21-14(4)22-16/h5-9,12,17H,10-11H2,1-4H3,(H,21,22)/t17-/m0/s1
InChIKeyNCZQIPOFEXMPOH-KRWDZBQOSA-N
MW364.45 g/mol
LogP3.14
Rot. Bonds3

About (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

(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 (PubChem CID 164697805) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID164697805
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name(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
SMILESCc1nc(C(=O)N2CCn3nc(-c4ccccc4)nc3[C@@H]2C(C)C)c(C)[nH]1
InChIInChI=1S/C20H24N6O/c1-12(2)17-19-23-18(15-8-6-5-7-9-15)24-26(19)11-10-25(17)20(27)16-13(3)21-14(4)22-16/h5-9,12,17H,10-11H2,1-4H3,(H,21,22)/t17-/m0/s1
InChIKeyNCZQIPOFEXMPOH-KRWDZBQOSA-N
XLogP3.14
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

(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
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
[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
CID 164697836
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
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
[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
(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
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
(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-(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
(2,4-dimethyl-1,3-thiazol-5-yl)-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone;formic acid
CID 166598403
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 (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nc(C(=O)N2CCn3nc(-c4ccccc4)nc3[C@@H]2C(C)C)c(C)[nH]1.
What is the InChIKey of (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?
The InChIKey is NCZQIPOFEXMPOH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N6O/c1-12(2)17-19-23-18(15-8-6-5-7-9-15)24-26(19)11-10-25(17)20(27)16-13(3)21-14(4)22-16/h5-9,12,17H,10-11H2,1-4H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 364.45 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 164697805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).