3-methyl-7-(trifluoromethyl)-2H-pyrrolo[1,2-a]pyrazin-1-one

C9H7F3N2O — CID 56587779

IUPAC3-methyl-7-(trifluoromethyl)-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cn2cc(C(F)(F)F)cc2c(=O)[nH]1
InChIInChI=1S/C9H7F3N2O/c1-5-3-14-4-6(9(10,11)12)2-7(14)8(15)13-5/h2-4H,1H3,(H,13,15)
InChIKeyDYHQRCYZMPRXNH-UHFFFAOYSA-N
MW216.16 g/mol
LogP1.95
Rot. Bonds

About 3-methyl-7-(trifluoromethyl)-2H-pyrrolo[1,2-a]pyrazin-1-one

3-methyl-7-(trifluoromethyl)-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 56587779) has the molecular formula C9H7F3N2O and a molecular weight of 216.16 g/mol. Its IUPAC name is 3-methyl-7-(trifluoromethyl)-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name3-methyl-7-(trifluoromethyl)-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID56587779
Molecular FormulaC9H7F3N2O
Molecular Weight216.16 g/mol
Exact Mass216.05
IUPAC Name3-methyl-7-(trifluoromethyl)-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cn2cc(C(F)(F)F)cc2c(=O)[nH]1
InChIInChI=1S/C9H7F3N2O/c1-5-3-14-4-6(9(10,11)12)2-7(14)8(15)13-5/h2-4H,1H3,(H,13,15)
InChIKeyDYHQRCYZMPRXNH-UHFFFAOYSA-N
XLogP1.95
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(trifluoromethyl)-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 3-methyl-7-(trifluoromethyl)-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 56587779) is 3-methyl-7-(trifluoromethyl)-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 3-methyl-7-(trifluoromethyl)-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 3-methyl-7-(trifluoromethyl)-2H-pyrrolo[1,2-a]pyrazin-1-one is Cc1cn2cc(C(F)(F)F)cc2c(=O)[nH]1.
What is the InChIKey of 3-methyl-7-(trifluoromethyl)-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is DYHQRCYZMPRXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O/c1-5-3-14-4-6(9(10,11)12)2-7(14)8(15)13-5/h2-4H,1H3,(H,13,15).
What are the key properties of 3-methyl-7-(trifluoromethyl)-2H-pyrrolo[1,2-a]pyrazin-1-one?
3-methyl-7-(trifluoromethyl)-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 216.16 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(trifluoromethyl)-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 56587779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).