1H-imidazol-2-yl-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C16H16N6O — CID 175644584

IUPAC1H-imidazol-2-yl-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ncc[nH]2)Cc2nnc(-c3ccccc3)n21
InChIInChI=1S/C16H16N6O/c1-11-9-21(16(23)14-17-7-8-18-14)10-13-19-20-15(22(11)13)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyMCQWQWPSMVONRO-NSHDSACASA-N
MW308.34 g/mol
LogP1.89
Rot. Bonds2

About 1H-imidazol-2-yl-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

1H-imidazol-2-yl-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 175644584) has the molecular formula C16H16N6O and a molecular weight of 308.34 g/mol. Its IUPAC name is 1H-imidazol-2-yl-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name1H-imidazol-2-yl-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID175644584
Molecular FormulaC16H16N6O
Molecular Weight308.34 g/mol
Exact Mass308.14
IUPAC Name1H-imidazol-2-yl-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ncc[nH]2)Cc2nnc(-c3ccccc3)n21
InChIInChI=1S/C16H16N6O/c1-11-9-21(16(23)14-17-7-8-18-14)10-13-19-20-15(22(11)13)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyMCQWQWPSMVONRO-NSHDSACASA-N
XLogP1.89
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1H-imidazol-2-yl-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Related Compounds

N-{4-[3-(2,5-difluorophenyl)-1-(ethylcarbamoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-yl]butyl}-1H-imidazole-2-carboxamide
CID 24901508
(6S)-7-benzyl-6-methyl-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 86279014
(R)-N-(6-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl)acetamide
CID 45274000
N'-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyloxamide
CID 58386327
(6S)-6-methyl-7-(1-phenylethyl)-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 86279158
(6S)-6-methyl-7-[(1R)-1-phenylethyl]-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 86279159
US11071721, Example 68
CID 134564001
5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3-phenyl-6-propyl-
CID 135702816
N-(1-benzyl-1H-pyrazol-4-yl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 649222
(6S)-6-methyl-7-[(1S)-1-phenylethyl]-3-pyrazin-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 86279160
1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 75203470
3-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 90192039

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yl-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of 1H-imidazol-2-yl-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 175644584) is 1H-imidazol-2-yl-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for 1H-imidazol-2-yl-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for 1H-imidazol-2-yl-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is C[C@H]1CN(C(=O)c2ncc[nH]2)Cc2nnc(-c3ccccc3)n21.
What is the InChIKey of 1H-imidazol-2-yl-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is MCQWQWPSMVONRO-NSHDSACASA-N. The full InChI is InChI=1S/C16H16N6O/c1-11-9-21(16(23)14-17-7-8-18-14)10-13-19-20-15(22(11)13)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of 1H-imidazol-2-yl-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
1H-imidazol-2-yl-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 308.34 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 175644584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).