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

C12H12F2N4 — CID 136532280

IUPAC7-[(3,4-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESFc1ccc(CN2CCn3ncnc3C2)cc1F
InChIInChI=1S/C12H12F2N4/c13-10-2-1-9(5-11(10)14)6-17-3-4-18-12(7-17)15-8-16-18/h1-2,5,8H,3-4,6-7H2
InChIKeyIRZUMAZITRJZPX-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.57
Rot. Bonds2

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

7-[(3,4-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 136532280) has the molecular formula C12H12F2N4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 7-[(3,4-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-[(3,4-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID136532280
Molecular FormulaC12H12F2N4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name7-[(3,4-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESFc1ccc(CN2CCn3ncnc3C2)cc1F
InChIInChI=1S/C12H12F2N4/c13-10-2-1-9(5-11(10)14)6-17-3-4-18-12(7-17)15-8-16-18/h1-2,5,8H,3-4,6-7H2
InChIKeyIRZUMAZITRJZPX-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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Related Compounds

7-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 130621572
[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-fluorophenyl]methanamine
CID 107878502
8-[(3,4-difluorophenyl)methyl]-1-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 155871319
2-(4-chlorophenyl)-6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930012
1-[(3,4-difluorophenyl)methyl]-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90533989
2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-4-methylpyrimidine
CID 154580839
3-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-1,2,5-thiadiazole
CID 154583258
2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-4,5,6-trimethylpyrimidine
CID 163316237
1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 171912522
(3S)-3-amino-7-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;(3S)-7-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-methyl-3-(methylamino)-2,3-dihydro-1,5-benzoxazepin-4-one;hydrochloride
CID 161026179
3-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]propanoic acid
CID 65053964
1-[(3,4-difluorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine
CID 3650083

Frequently Asked Questions

What is the IUPAC name of 7-[(3,4-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 7-[(3,4-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (CID 136532280) is 7-[(3,4-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-[(3,4-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 7-[(3,4-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is Fc1ccc(CN2CCn3ncnc3C2)cc1F.
What is the InChIKey of 7-[(3,4-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is IRZUMAZITRJZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4/c13-10-2-1-9(5-11(10)14)6-17-3-4-18-12(7-17)15-8-16-18/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 7-[(3,4-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
7-[(3,4-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-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-[(3,4-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 136532280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).