[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4,5-dimethylfuran-2-yl)methanone;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,2-dimethylmorpholin-4-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3,3-dimethyl-4-propan-2-yloxybutan-1-one;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methylfuran-2-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-pyridin-2-ylethanone

C101H97Cl5N22O9 — CID 161134271

About [3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4,5-dimethylfuran-2-yl)methanone;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,2-dimethylmorpholin-4-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3,3-dimethyl-4-propan-2-yloxybutan-1-one;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methylfuran-2-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-pyridin-2-ylethanone

[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4,5-dimethylfuran-2-yl)methanone;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,2-dimethylmorpholin-4-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3,3-dimethyl-4-propan-2-yloxybutan-1-one;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methylfuran-2-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-pyridin-2-ylethanone (PubChem CID 161134271) has the molecular formula C101H97Cl5N22O9 and a molecular weight of 1940.30 g/mol. Its IUPAC name is [3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4,5-dimethylfuran-2-yl)methanone;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,2-dimethylmorpholin-4-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3,3-dimethyl-4-propan-2-yloxybutan-1-one;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methylfuran-2-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-pyridin-2-ylethanone.

Molecular Properties

• Compound Name: [3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4,5-dimethylfuran-2-yl)methanone;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,2-dimethylmorpholin-4-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3,3-dimethyl-4-propan-2-yloxybutan-1-one;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methylfuran-2-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-pyridin-2-ylethanone
• PubChem CID: 161134271
• Molecular Formula: C101H97Cl5N22O9
• Molecular Weight: 1940.30 g/mol
• Exact Mass: 1936.63
• IUPAC Name: [3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4,5-dimethylfuran-2-yl)methanone;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,2-dimethylmorpholin-4-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3,3-dimethyl-4-propan-2-yloxybutan-1-one;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methylfuran-2-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-pyridin-2-ylethanone
• SMILES: CC(C)OCC(C)(C)CC(=O)N1CCn2c(C#Cc3cccc(Cl)c3)nnc2C1.CC1(C)CN(C(=O)N2CCn3c(C#Cc4cccc(Cl)c4)nnc3C2)CCO1.Cc1cc(C(=O)N2CCn3c(C#Cc4cccc(Cl)c4)nnc3C2)oc1C.Cc1coc(C(=O)N2CCn3c(C#Cc4cccc(Cl)c4)nnc3C2)c1.O=C(Cc1ccccn1)N1CCn2c(C#Cc3cccc(Cl)c3)nnc2C1
• InChI: InChI=1S/C22H27ClN4O2.C20H22ClN5O2.C20H16ClN5O.C20H17ClN4O2.C19H15ClN4O2/c1-16(2)29-15-22(3,4)13-21(28)26-10-11-27-19(24-25-20(27)14-26)9-8-17-6-5-7-18(23)12-17;1-20(2)14-25(10-11-28-20)19(27)24-8-9-26-17(22-23-18(26)13-24)7-6-15-4-3-5-16(21)12-15;21-16-5-3-4-15(12-16)7-8-18-23-24-19-14-25(10-11-26(18)19)20(27)13-17-6-1-2-9-22-17;1-13-10-17(27-14(13)2)20(26)24-8-9-25-18(22-23-19(25)12-24)7-6-15-4-3-5-16(21)11-15;1-13-9-16(26-12-13)19(25)23-7-8-24-17(21-22-18(24)11-23)6-5-14-3-2-4-15(20)10-14/h5-7,12,16H,10-11,13-15H2,1-4H3;3-5,12H,8-11,13-14H2,1-2H3;1-6,9,12H,10-11,13-14H2;3-5,10-11H,8-9,12H2,1-2H3;2-4,9-10,12H,7-8,11H2,1H3
• InChIKey: UMOZFXJBPRVXME-UHFFFAOYSA-N
• XLogP: 14.29
• TPSA: 315.97 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 9
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1940.30
LogP ≤ 5	14.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4,5-dimethylfuran-2-yl)methanone;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,2-dimethylmorpholin-4-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3,3-dimethyl-4-propan-2-yloxybutan-1-one;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methylfuran-2-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-pyridin-2-ylethanone?

The IUPAC name of [3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4,5-dimethylfuran-2-yl)methanone;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,2-dimethylmorpholin-4-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3,3-dimethyl-4-propan-2-yloxybutan-1-one;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methylfuran-2-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-pyridin-2-ylethanone (CID 161134271) is [3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4,5-dimethylfuran-2-yl)methanone;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,2-dimethylmorpholin-4-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3,3-dimethyl-4-propan-2-yloxybutan-1-one;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methylfuran-2-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-pyridin-2-ylethanone.

What is the SMILES notation for [3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4,5-dimethylfuran-2-yl)methanone;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,2-dimethylmorpholin-4-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3,3-dimethyl-4-propan-2-yloxybutan-1-one;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methylfuran-2-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-pyridin-2-ylethanone?

The canonical SMILES for [3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4,5-dimethylfuran-2-yl)methanone;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,2-dimethylmorpholin-4-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3,3-dimethyl-4-propan-2-yloxybutan-1-one;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methylfuran-2-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-pyridin-2-ylethanone is CC(C)OCC(C)(C)CC(=O)N1CCn2c(C#Cc3cccc(Cl)c3)nnc2C1.CC1(C)CN(C(=O)N2CCn3c(C#Cc4cccc(Cl)c4)nnc3C2)CCO1.Cc1cc(C(=O)N2CCn3c(C#Cc4cccc(Cl)c4)nnc3C2)oc1C.Cc1coc(C(=O)N2CCn3c(C#Cc4cccc(Cl)c4)nnc3C2)c1.O=C(Cc1ccccn1)N1CCn2c(C#Cc3cccc(Cl)c3)nnc2C1.

What is the InChIKey of [3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4,5-dimethylfuran-2-yl)methanone;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,2-dimethylmorpholin-4-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3,3-dimethyl-4-propan-2-yloxybutan-1-one;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methylfuran-2-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-pyridin-2-ylethanone?

The InChIKey is UMOZFXJBPRVXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2.C20H22ClN5O2.C20H16ClN5O.C20H17ClN4O2.C19H15ClN4O2/c1-16(2)29-15-22(3,4)13-21(28)26-10-11-27-19(24-25-20(27)14-26)9-8-17-6-5-7-18(23)12-17;1-20(2)14-25(10-11-28-20)19(27)24-8-9-26-17(22-23-18(26)13-24)7-6-15-4-3-5-16(21)12-15;21-16-5-3-4-15(12-16)7-8-18-23-24-19-14-25(10-11-26(18)19)20(27)13-17-6-1-2-9-22-17;1-13-10-17(27-14(13)2)20(26)24-8-9-25-18(22-23-19(25)12-24)7-6-15-4-3-5-16(21)11-15;1-13-9-16(26-12-13)19(25)23-7-8-24-17(21-22-18(24)11-23)6-5-14-3-2-4-15(20)10-14/h5-7,12,16H,10-11,13-15H2,1-4H3;3-5,12H,8-11,13-14H2,1-2H3;1-6,9,12H,10-11,13-14H2;3-5,10-11H,8-9,12H2,1-2H3;2-4,9-10,12H,7-8,11H2,1H3.

What are the key properties of [3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4,5-dimethylfuran-2-yl)methanone;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,2-dimethylmorpholin-4-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3,3-dimethyl-4-propan-2-yloxybutan-1-one;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methylfuran-2-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-pyridin-2-ylethanone?

[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4,5-dimethylfuran-2-yl)methanone;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,2-dimethylmorpholin-4-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3,3-dimethyl-4-propan-2-yloxybutan-1-one;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methylfuran-2-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-pyridin-2-ylethanone has a molecular weight of 1940.30 g/mol, XLogP of 14.29, 9 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4,5-dimethylfuran-2-yl)methanone;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,2-dimethylmorpholin-4-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3,3-dimethyl-4-propan-2-yloxybutan-1-one;[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methylfuran-2-yl)methanone;1-[3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 161134271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).