3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrazin-2-one

C8H10F3N3O2 — CID 107484617

IUPAC3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N(CCO)CC(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)5-14(3-4-15)6-7(16)13-2-1-12-6/h1-2,15H,3-5H2,(H,13,16)
InChIKeyBHTYIKKOZMXKMM-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.13
Rot. Bonds4

About 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrazin-2-one

3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrazin-2-one (PubChem CID 107484617) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrazin-2-one
PubChem CID107484617
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N(CCO)CC(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)5-14(3-4-15)6-7(16)13-2-1-12-6/h1-2,15H,3-5H2,(H,13,16)
InChIKeyBHTYIKKOZMXKMM-UHFFFAOYSA-N
XLogP0.13
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrazin-2-one (CID 107484617) is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrazin-2-one is O=c1[nH]ccnc1N(CCO)CC(F)(F)F.
What is the InChIKey of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrazin-2-one?
The InChIKey is BHTYIKKOZMXKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)5-14(3-4-15)6-7(16)13-2-1-12-6/h1-2,15H,3-5H2,(H,13,16).
What are the key properties of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrazin-2-one?
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrazin-2-one has a molecular weight of 237.18 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 107484617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).