2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C7H10F2N4O — CID 66271273

IUPAC2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CC(F)F)nc2n1CCNC2
InChIInChI=1S/C7H10F2N4O/c8-5(9)4-13-7(14)12-2-1-10-3-6(12)11-13/h5,10H,1-4H2
InChIKeyKOYZUSPJMVTYSD-UHFFFAOYSA-N
MW204.18 g/mol
LogP-0.59
Rot. Bonds2

About 2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66271273) has the molecular formula C7H10F2N4O and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66271273
Molecular FormulaC7H10F2N4O
Molecular Weight204.18 g/mol
Exact Mass204.08
IUPAC Name2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CC(F)F)nc2n1CCNC2
InChIInChI=1S/C7H10F2N4O/c8-5(9)4-13-7(14)12-2-1-10-3-6(12)11-13/h5,10H,1-4H2
InChIKeyKOYZUSPJMVTYSD-UHFFFAOYSA-N
XLogP-0.59
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 129060550
CID 161624398
CID 161624398
CID 55155921
CID 55155921
CID 66271696
CID 66271696
CID 66272131
CID 66272131
CID 66272557
CID 66272557
CID 66272561
CID 66272561
CID 66273835
CID 66273835
CID 66274046
CID 66274046

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66271273) is 2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1n(CC(F)F)nc2n1CCNC2.
What is the InChIKey of 2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is KOYZUSPJMVTYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O/c8-5(9)4-13-7(14)12-2-1-10-3-6(12)11-13/h5,10H,1-4H2.
What are the key properties of 2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 204.18 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66271273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).