7-[(3,5-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C12H12F2N4 — CID 53193666

IUPAC7-[(3,5-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cc(F)cc(CN2CCn3cnnc3C2)c1
InChIInChI=1S/C12H12F2N4/c13-10-3-9(4-11(14)5-10)6-17-1-2-18-8-15-16-12(18)7-17/h3-5,8H,1-2,6-7H2
InChIKeyQOKUPLQJOZTBFT-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.57
Rot. Bonds2

About 7-[(3,5-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-[(3,5-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 53193666) has the molecular formula C12H12F2N4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 7-[(3,5-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[(3,5-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID53193666
Molecular FormulaC12H12F2N4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name7-[(3,5-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cc(F)cc(CN2CCn3cnnc3C2)c1
InChIInChI=1S/C12H12F2N4/c13-10-3-9(4-11(14)5-10)6-17-1-2-18-8-15-16-12(18)7-17/h3-5,8H,1-2,6-7H2
InChIKeyQOKUPLQJOZTBFT-UHFFFAOYSA-N
XLogP1.57
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(3,5-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[(3,5-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 53193666) is 7-[(3,5-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[(3,5-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[(3,5-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is Fc1cc(F)cc(CN2CCn3cnnc3C2)c1.
What is the InChIKey of 7-[(3,5-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is QOKUPLQJOZTBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4/c13-10-3-9(4-11(14)5-10)6-17-1-2-18-8-15-16-12(18)7-17/h3-5,8H,1-2,6-7H2.
What are the key properties of 7-[(3,5-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[(3,5-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 250.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,5-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 53193666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).