7-N-(3,4-difluorophenyl)-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxamide

C16H15F5N6O2 — CID 166633438

IUPAC7-N-(3,4-difluorophenyl)-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxamide
SMILESC[C@@H](NC(=O)c1nnc2n1CCN(C(=O)Nc1ccc(F)c(F)c1)C2)C(F)(F)F
InChIInChI=1S/C16H15F5N6O2/c1-8(16(19,20)21)22-14(28)13-25-24-12-7-26(4-5-27(12)13)15(29)23-9-2-3-10(17)11(18)6-9/h2-3,6,8H,4-5,7H2,1H3,(H,22,28)(H,23,29)/t8-/m1/s1
InChIKeyYCBVCXNUNCODEX-MRVPVSSYSA-N
MW418.33 g/mol
LogP2.28
Rot. Bonds3

About 7-N-(3,4-difluorophenyl)-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxamide

7-N-(3,4-difluorophenyl)-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxamide (PubChem CID 166633438) has the molecular formula C16H15F5N6O2 and a molecular weight of 418.33 g/mol. Its IUPAC name is 7-N-(3,4-difluorophenyl)-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxamide.

Molecular Properties

Compound Name7-N-(3,4-difluorophenyl)-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxamide
PubChem CID166633438
Molecular FormulaC16H15F5N6O2
Molecular Weight418.33 g/mol
Exact Mass418.12
IUPAC Name7-N-(3,4-difluorophenyl)-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxamide
SMILESC[C@@H](NC(=O)c1nnc2n1CCN(C(=O)Nc1ccc(F)c(F)c1)C2)C(F)(F)F
InChIInChI=1S/C16H15F5N6O2/c1-8(16(19,20)21)22-14(28)13-25-24-12-7-26(4-5-27(12)13)15(29)23-9-2-3-10(17)11(18)6-9/h2-3,6,8H,4-5,7H2,1H3,(H,22,28)(H,23,29)/t8-/m1/s1
InChIKeyYCBVCXNUNCODEX-MRVPVSSYSA-N
XLogP2.28
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-N-(3,4-difluorophenyl)-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-N-(3,4-difluorophenyl)-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxamide?
The IUPAC name of 7-N-(3,4-difluorophenyl)-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxamide (CID 166633438) is 7-N-(3,4-difluorophenyl)-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxamide.
What is the SMILES notation for 7-N-(3,4-difluorophenyl)-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxamide?
The canonical SMILES for 7-N-(3,4-difluorophenyl)-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxamide is C[C@@H](NC(=O)c1nnc2n1CCN(C(=O)Nc1ccc(F)c(F)c1)C2)C(F)(F)F.
What is the InChIKey of 7-N-(3,4-difluorophenyl)-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxamide?
The InChIKey is YCBVCXNUNCODEX-MRVPVSSYSA-N. The full InChI is InChI=1S/C16H15F5N6O2/c1-8(16(19,20)21)22-14(28)13-25-24-12-7-26(4-5-27(12)13)15(29)23-9-2-3-10(17)11(18)6-9/h2-3,6,8H,4-5,7H2,1H3,(H,22,28)(H,23,29)/t8-/m1/s1.
What are the key properties of 7-N-(3,4-difluorophenyl)-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxamide?
7-N-(3,4-difluorophenyl)-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxamide has a molecular weight of 418.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(3,4-difluorophenyl)-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxamide is sourced from PubChem (CID 166633438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).