(4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C18H17FN4O2 — CID 78425907

IUPAC(4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1ccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)o1
InChIInChI=1S/C18H17FN4O2/c1-11-3-8-15(25-11)17-21-20-16-12(2)22(9-10-23(16)17)18(24)13-4-6-14(19)7-5-13/h3-8,12H,9-10H2,1-2H3/t12-/m1/s1
InChIKeyQNQLAOGIKKMCID-GFCCVEGCSA-N
MW340.36 g/mol
LogP3.20
Rot. Bonds2

About (4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 78425907) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is (4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID78425907
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name(4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1ccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)o1
InChIInChI=1S/C18H17FN4O2/c1-11-3-8-15(25-11)17-21-20-16-12(2)22(9-10-23(16)17)18(24)13-4-6-14(19)7-5-13/h3-8,12H,9-10H2,1-2H3/t12-/m1/s1
InChIKeyQNQLAOGIKKMCID-GFCCVEGCSA-N
XLogP3.20
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 78425907) is (4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is Cc1ccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)o1.
What is the InChIKey of (4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is QNQLAOGIKKMCID-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-11-3-8-15(25-11)17-21-20-16-12(2)22(9-10-23(16)17)18(24)13-4-6-14(19)7-5-13/h3-8,12H,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 340.36 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 78425907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).