3-formyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;3-(hydroxymethyl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-ylmethyl acetate;1,2,3-trifluoro-5-isocyanatobenzene;bis(3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide);5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid;[5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methyl acetate

C103H90F27N35O17 — CID 159906466

About 3-formyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;3-(hydroxymethyl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-ylmethyl acetate;1,2,3-trifluoro-5-isocyanatobenzene;bis(3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide);5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid;[5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methyl acetate

3-formyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;3-(hydroxymethyl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-ylmethyl acetate;1,2,3-trifluoro-5-isocyanatobenzene;bis(3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide);5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid;[5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methyl acetate (PubChem CID 159906466) has the molecular formula C103H90F27N35O17 and a molecular weight of 2603.03 g/mol. Its IUPAC name is 3-formyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;3-(hydroxymethyl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-ylmethyl acetate;1,2,3-trifluoro-5-isocyanatobenzene;bis(3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide);5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid;[5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methyl acetate.

Molecular Properties

• Compound Name: 3-formyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;3-(hydroxymethyl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-ylmethyl acetate;1,2,3-trifluoro-5-isocyanatobenzene;bis(3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide);5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid;[5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methyl acetate
• PubChem CID: 159906466
• Molecular Formula: C103H90F27N35O17
• Molecular Weight: 2603.03 g/mol
• Exact Mass: 2601.68
• IUPAC Name: 3-formyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;3-(hydroxymethyl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-ylmethyl acetate;1,2,3-trifluoro-5-isocyanatobenzene;bis(3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide);5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid;[5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methyl acetate
• SMILES: CC(=O)OCc1nnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2.CC(=O)OCc1nnn2c1CNCC2.C[C@@H](CC(=O)c1nnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2)C(F)(F)F.C[C@@H](CC(=O)c1nnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2)C(F)(F)F.O=C(Nc1cc(F)c(F)c(F)c1)N1CCn2nnc(CO)c2C1.O=C(O)c1nnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2.O=C=Nc1cc(F)c(F)c(F)c1.O=Cc1nnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2
• InChI: InChI=1S/2C17H15F6N5O2.C15H14F3N5O3.C13H10F3N5O3.C13H12F3N5O2.C13H10F3N5O2.C8H12N4O2.C7H2F3NO/c2*1-8(17(21,22)23)4-13(29)15-12-7-27(2-3-28(12)26-25-15)16(30)24-9-5-10(18)14(20)11(19)6-9;1-8(24)26-7-12-13-6-22(2-3-23(13)21-20-12)15(25)19-9-4-10(16)14(18)11(17)5-9;14-7-3-6(4-8(15)10(7)16)17-13(24)20-1-2-21-9(5-20)11(12(22)23)18-19-21;2*14-8-3-7(4-9(15)12(8)16)17-13(23)20-1-2-21-11(5-20)10(6-22)18-19-21;1-6(13)14-5-7-8-4-9-2-3-12(8)11-10-7;8-5-1-4(11-3-12)2-6(9)7(5)10/h2*5-6,8H,2-4,7H2,1H3,(H,24,30);4-5H,2-3,6-7H2,1H3,(H,19,25);3-4H,1-2,5H2,(H,17,24)(H,22,23);3-4,22H,1-2,5-6H2,(H,17,23);3-4,6H,1-2,5H2,(H,17,23);9H,2-5H2,1H3;1-2H/t2*8-;;;;;;/m00....../s1
• InChIKey: NWQFUNBHHJMVJS-VTZAQDKUSA-N
• XLogP: 14.58
• TPSA: 611.81 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 20
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2603.03
LogP ≤ 5	14.58
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-formyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;3-(hydroxymethyl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-ylmethyl acetate;1,2,3-trifluoro-5-isocyanatobenzene;bis(3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide);5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid;[5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methyl acetate?

The IUPAC name of 3-formyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;3-(hydroxymethyl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-ylmethyl acetate;1,2,3-trifluoro-5-isocyanatobenzene;bis(3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide);5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid;[5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methyl acetate (CID 159906466) is 3-formyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;3-(hydroxymethyl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-ylmethyl acetate;1,2,3-trifluoro-5-isocyanatobenzene;bis(3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide);5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid;[5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methyl acetate.

What is the SMILES notation for 3-formyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;3-(hydroxymethyl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-ylmethyl acetate;1,2,3-trifluoro-5-isocyanatobenzene;bis(3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide);5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid;[5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methyl acetate?

The canonical SMILES for 3-formyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;3-(hydroxymethyl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-ylmethyl acetate;1,2,3-trifluoro-5-isocyanatobenzene;bis(3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide);5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid;[5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methyl acetate is CC(=O)OCc1nnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2.CC(=O)OCc1nnn2c1CNCC2.C[C@@H](CC(=O)c1nnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2)C(F)(F)F.C[C@@H](CC(=O)c1nnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2)C(F)(F)F.O=C(Nc1cc(F)c(F)c(F)c1)N1CCn2nnc(CO)c2C1.O=C(O)c1nnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2.O=C=Nc1cc(F)c(F)c(F)c1.O=Cc1nnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2.

What is the InChIKey of 3-formyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;3-(hydroxymethyl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-ylmethyl acetate;1,2,3-trifluoro-5-isocyanatobenzene;bis(3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide);5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid;[5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methyl acetate?

The InChIKey is NWQFUNBHHJMVJS-VTZAQDKUSA-N. The full InChI is InChI=1S/2C17H15F6N5O2.C15H14F3N5O3.C13H10F3N5O3.C13H12F3N5O2.C13H10F3N5O2.C8H12N4O2.C7H2F3NO/c2*1-8(17(21,22)23)4-13(29)15-12-7-27(2-3-28(12)26-25-15)16(30)24-9-5-10(18)14(20)11(19)6-9;1-8(24)26-7-12-13-6-22(2-3-23(13)21-20-12)15(25)19-9-4-10(16)14(18)11(17)5-9;14-7-3-6(4-8(15)10(7)16)17-13(24)20-1-2-21-9(5-20)11(12(22)23)18-19-21;2*14-8-3-7(4-9(15)12(8)16)17-13(23)20-1-2-21-11(5-20)10(6-22)18-19-21;1-6(13)14-5-7-8-4-9-2-3-12(8)11-10-7;8-5-1-4(11-3-12)2-6(9)7(5)10/h2*5-6,8H,2-4,7H2,1H3,(H,24,30);4-5H,2-3,6-7H2,1H3,(H,19,25);3-4H,1-2,5H2,(H,17,24)(H,22,23);3-4,22H,1-2,5-6H2,(H,17,23);3-4,6H,1-2,5H2,(H,17,23);9H,2-5H2,1H3;1-2H/t2*8-;;;;;;/m00....../s1.

What are the key properties of 3-formyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;3-(hydroxymethyl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-ylmethyl acetate;1,2,3-trifluoro-5-isocyanatobenzene;bis(3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide);5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid;[5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methyl acetate?

3-formyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;3-(hydroxymethyl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-ylmethyl acetate;1,2,3-trifluoro-5-isocyanatobenzene;bis(3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide);5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid;[5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methyl acetate has a molecular weight of 2603.03 g/mol, XLogP of 14.58, 20 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-formyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;3-(hydroxymethyl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-ylmethyl acetate;1,2,3-trifluoro-5-isocyanatobenzene;bis(3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide);5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid;[5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methyl acetate is sourced from PubChem (CID 159906466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).