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

C18H16F2N4O2 — CID 86274365

IUPAC(3,4-difluorophenyl)-[(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)c(F)c2)[C@@H]3C)o1
InChIInChI=1S/C18H16F2N4O2/c1-10-3-6-15(26-10)17-22-21-16-11(2)23(7-8-24(16)17)18(25)12-4-5-13(19)14(20)9-12/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1
InChIKeyCRPYXZPGAIQTFL-LLVKDONJSA-N
MW358.35 g/mol
LogP3.34
Rot. Bonds2

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

(3,4-difluorophenyl)-[(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 86274365) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[(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(3,4-difluorophenyl)-[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID86274365
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name(3,4-difluorophenyl)-[(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)c(F)c2)[C@@H]3C)o1
InChIInChI=1S/C18H16F2N4O2/c1-10-3-6-15(26-10)17-22-21-16-11(2)23(7-8-24(16)17)18(25)12-4-5-13(19)14(20)9-12/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1
InChIKeyCRPYXZPGAIQTFL-LLVKDONJSA-N
XLogP3.34
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,4-difluorophenyl)-[(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 (3,4-difluorophenyl)-[(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 (3,4-difluorophenyl)-[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 86274365) is (3,4-difluorophenyl)-[(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 (3,4-difluorophenyl)-[(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 (3,4-difluorophenyl)-[(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)c(F)c2)[C@@H]3C)o1.
What is the InChIKey of (3,4-difluorophenyl)-[(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 CRPYXZPGAIQTFL-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-10-3-6-15(26-10)17-22-21-16-11(2)23(7-8-24(16)17)18(25)12-4-5-13(19)14(20)9-12/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1.
What are the key properties of (3,4-difluorophenyl)-[(8R)-8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(3,4-difluorophenyl)-[(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 358.35 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[(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 86274365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).