(5S)-5-methyl-6,7-dihydro-5H-imidazo[1,5-a]pyrazine-8-thione

C7H9N3S — CID 156847160

IUPAC(5S)-5-methyl-6,7-dihydro-5H-imidazo[1,5-a]pyrazine-8-thione
SMILESC[C@H]1CNC(=S)c2cncn21
InChIInChI=1S/C7H9N3S/c1-5-2-9-7(11)6-3-8-4-10(5)6/h3-5H,2H2,1H3,(H,9,11)/t5-/m0/s1
InChIKeyOKAHYUIRJLHCPQ-YFKPBYRVSA-N
MW167.24 g/mol
LogP0.72
Rot. Bonds

About (5S)-5-methyl-6,7-dihydro-5H-imidazo[1,5-a]pyrazine-8-thione

(5S)-5-methyl-6,7-dihydro-5H-imidazo[1,5-a]pyrazine-8-thione (PubChem CID 156847160) has the molecular formula C7H9N3S and a molecular weight of 167.24 g/mol. Its IUPAC name is (5S)-5-methyl-6,7-dihydro-5H-imidazo[1,5-a]pyrazine-8-thione.

Molecular Properties

Compound Name(5S)-5-methyl-6,7-dihydro-5H-imidazo[1,5-a]pyrazine-8-thione
PubChem CID156847160
Molecular FormulaC7H9N3S
Molecular Weight167.24 g/mol
Exact Mass167.05
IUPAC Name(5S)-5-methyl-6,7-dihydro-5H-imidazo[1,5-a]pyrazine-8-thione
SMILESC[C@H]1CNC(=S)c2cncn21
InChIInChI=1S/C7H9N3S/c1-5-2-9-7(11)6-3-8-4-10(5)6/h3-5H,2H2,1H3,(H,9,11)/t5-/m0/s1
InChIKeyOKAHYUIRJLHCPQ-YFKPBYRVSA-N
XLogP0.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-methyl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-8-one
CID 156847153
(7S)-11-bromo-7-methyl-4,6,9,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
CID 167497478
(5R)-5-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepin-8-amine
CID 139581203
4-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine
CID 114720118
8-methyl-5-phenyl-4,5,9,11-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,10-tetraene
CID 175894939
1-[(3-cyclopropylimidazol-4-yl)methyl]-2,6-dimethylpiperazine
CID 66155035
3-methyl-4-(pyrazin-2-ylmethyl)-2,3-dihydro-1H-quinoxaline
CID 115318590
5-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine
CID 114720108
1-(2,6-dimethylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 83017949
acetonitrile;fluorobenzene;5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole
CID 145129274
4-[5-(azetidin-3-yl)imidazol-1-yl]-1,3-dimethylpiperidine
CID 114722747
2,5-dimethyl-1-(4-methyl-3-pyridinyl)piperazine
CID 64936270

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-6,7-dihydro-5H-imidazo[1,5-a]pyrazine-8-thione?
The IUPAC name of (5S)-5-methyl-6,7-dihydro-5H-imidazo[1,5-a]pyrazine-8-thione (CID 156847160) is (5S)-5-methyl-6,7-dihydro-5H-imidazo[1,5-a]pyrazine-8-thione.
What is the SMILES notation for (5S)-5-methyl-6,7-dihydro-5H-imidazo[1,5-a]pyrazine-8-thione?
The canonical SMILES for (5S)-5-methyl-6,7-dihydro-5H-imidazo[1,5-a]pyrazine-8-thione is C[C@H]1CNC(=S)c2cncn21.
What is the InChIKey of (5S)-5-methyl-6,7-dihydro-5H-imidazo[1,5-a]pyrazine-8-thione?
The InChIKey is OKAHYUIRJLHCPQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9N3S/c1-5-2-9-7(11)6-3-8-4-10(5)6/h3-5H,2H2,1H3,(H,9,11)/t5-/m0/s1.
What are the key properties of (5S)-5-methyl-6,7-dihydro-5H-imidazo[1,5-a]pyrazine-8-thione?
(5S)-5-methyl-6,7-dihydro-5H-imidazo[1,5-a]pyrazine-8-thione has a molecular weight of 167.24 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-6,7-dihydro-5H-imidazo[1,5-a]pyrazine-8-thione is sourced from PubChem (CID 156847160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).