2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

C15H16F3N3O2 — CID 18717436

IUPAC2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCc1cc(C(F)(F)F)c(C)nc1N1C(=O)C2CCCCN2C1=O
InChIInChI=1S/C15H16F3N3O2/c1-8-7-10(15(16,17)18)9(2)19-12(8)21-13(22)11-5-3-4-6-20(11)14(21)23/h7,11H,3-6H2,1-2H3
InChIKeyPYXUAIAAVDBGGU-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.04
Rot. Bonds1

About 2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 18717436) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID18717436
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCc1cc(C(F)(F)F)c(C)nc1N1C(=O)C2CCCCN2C1=O
InChIInChI=1S/C15H16F3N3O2/c1-8-7-10(15(16,17)18)9(2)19-12(8)21-13(22)11-5-3-4-6-20(11)14(21)23/h7,11H,3-6H2,1-2H3
InChIKeyPYXUAIAAVDBGGU-UHFFFAOYSA-N
XLogP3.04
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 18717436) is 2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for 2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for 2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is Cc1cc(C(F)(F)F)c(C)nc1N1C(=O)C2CCCCN2C1=O.
What is the InChIKey of 2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is PYXUAIAAVDBGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-8-7-10(15(16,17)18)9(2)19-12(8)21-13(22)11-5-3-4-6-20(11)14(21)23/h7,11H,3-6H2,1-2H3.
What are the key properties of 2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 327.31 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 18717436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).