(8aS)-2-[(5-methyl-1H-pyrazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

C12H16N4O2 — CID 99797410

IUPAC(8aS)-2-[(5-methyl-1H-pyrazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCc1[nH]ncc1CN1C(=O)[C@@H]2CCCCN2C1=O
InChIInChI=1S/C12H16N4O2/c1-8-9(6-13-14-8)7-16-11(17)10-4-2-3-5-15(10)12(16)18/h6,10H,2-5,7H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyGQIIFBOLVQPEPU-JTQLQIEISA-N
MW248.29 g/mol
LogP1.03
Rot. Bonds2

About (8aS)-2-[(5-methyl-1H-pyrazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

(8aS)-2-[(5-methyl-1H-pyrazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 99797410) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is (8aS)-2-[(5-methyl-1H-pyrazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name(8aS)-2-[(5-methyl-1H-pyrazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID99797410
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name(8aS)-2-[(5-methyl-1H-pyrazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCc1[nH]ncc1CN1C(=O)[C@@H]2CCCCN2C1=O
InChIInChI=1S/C12H16N4O2/c1-8-9(6-13-14-8)7-16-11(17)10-4-2-3-5-15(10)12(16)18/h6,10H,2-5,7H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyGQIIFBOLVQPEPU-JTQLQIEISA-N
XLogP1.03
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (8aS)-2-[(5-methyl-1H-pyrazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8aS)-2-[(5-methyl-1H-pyrazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of (8aS)-2-[(5-methyl-1H-pyrazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 99797410) is (8aS)-2-[(5-methyl-1H-pyrazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for (8aS)-2-[(5-methyl-1H-pyrazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for (8aS)-2-[(5-methyl-1H-pyrazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is Cc1[nH]ncc1CN1C(=O)[C@@H]2CCCCN2C1=O.
What is the InChIKey of (8aS)-2-[(5-methyl-1H-pyrazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is GQIIFBOLVQPEPU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8-9(6-13-14-8)7-16-11(17)10-4-2-3-5-15(10)12(16)18/h6,10H,2-5,7H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (8aS)-2-[(5-methyl-1H-pyrazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
(8aS)-2-[(5-methyl-1H-pyrazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 248.29 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-2-[(5-methyl-1H-pyrazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 99797410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).