2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbohydrazide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetate;ethyl 3-ethoxy-3-iminopropanoate

C79H86N28O9 — CID 158208082

About 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbohydrazide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetate;ethyl 3-ethoxy-3-iminopropanoate

2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbohydrazide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetate;ethyl 3-ethoxy-3-iminopropanoate (PubChem CID 158208082) has the molecular formula C79H86N28O9 and a molecular weight of 1571.74 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbohydrazide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetate;ethyl 3-ethoxy-3-iminopropanoate.

Molecular Properties

• Compound Name: 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbohydrazide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetate;ethyl 3-ethoxy-3-iminopropanoate
• PubChem CID: 158208082
• Molecular Formula: C79H86N28O9
• Molecular Weight: 1571.74 g/mol
• Exact Mass: 1570.71
• IUPAC Name: 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbohydrazide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetate;ethyl 3-ethoxy-3-iminopropanoate
• SMILES: CCOC(=O)Cc1nc(-c2cnc(NC3Cc4ccccc4C3)nc2)n[nH]1.NNC(=O)c1cnc(NC2Cc3ccccc3C2)nc1.O=C(Cc1nc(-c2cnc(NC3Cc4ccccc4C3)nc2)n[nH]1)N1CCc2n[nH]nc2C1.O=C(O)Cc1nc(-c2cnc(NC3Cc4ccccc4C3)nc2)n[nH]1.[H]/N=C(/CC(=O)OCC)OCC
• InChI: InChI=1S/C22H22N10O.C19H20N6O2.C17H16N6O2.C14H15N5O.C7H13NO3/c33-20(32-6-5-17-18(12-32)28-31-27-17)9-19-26-21(30-29-19)15-10-23-22(24-11-15)25-16-7-13-3-1-2-4-14(13)8-16;1-2-27-17(26)9-16-23-18(25-24-16)14-10-20-19(21-11-14)22-15-7-12-5-3-4-6-13(12)8-15;24-15(25)7-14-21-16(23-22-14)12-8-18-17(19-9-12)20-13-5-10-3-1-2-4-11(10)6-13;15-19-13(20)11-7-16-14(17-8-11)18-12-5-9-3-1-2-4-10(9)6-12;1-3-10-6(8)5-7(9)11-4-2/h1-4,10-11,16H,5-9,12H2,(H,23,24,25)(H,26,29,30)(H,27,28,31);3-6,10-11,15H,2,7-9H2,1H3,(H,20,21,22)(H,23,24,25);1-4,8-9,13H,5-7H2,(H,24,25)(H,18,19,20)(H,21,22,23);1-4,7-8,12H,5-6,15H2,(H,19,20)(H,16,17,18);8H,3-5H2,1-2H3/b;;;;8-6-
• InChIKey: GBSUJJVUAVLHOA-QIQKBHGESA-N
• XLogP: 6.11
• TPSA: 515.93 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1571.74
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbohydrazide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetate;ethyl 3-ethoxy-3-iminopropanoate?

The IUPAC name of 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbohydrazide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetate;ethyl 3-ethoxy-3-iminopropanoate (CID 158208082) is 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbohydrazide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetate;ethyl 3-ethoxy-3-iminopropanoate.

What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbohydrazide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetate;ethyl 3-ethoxy-3-iminopropanoate?

The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbohydrazide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetate;ethyl 3-ethoxy-3-iminopropanoate is CCOC(=O)Cc1nc(-c2cnc(NC3Cc4ccccc4C3)nc2)n[nH]1.NNC(=O)c1cnc(NC2Cc3ccccc3C2)nc1.O=C(Cc1nc(-c2cnc(NC3Cc4ccccc4C3)nc2)n[nH]1)N1CCc2n[nH]nc2C1.O=C(O)Cc1nc(-c2cnc(NC3Cc4ccccc4C3)nc2)n[nH]1.[H]/N=C(/CC(=O)OCC)OCC.

What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbohydrazide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetate;ethyl 3-ethoxy-3-iminopropanoate?

The InChIKey is GBSUJJVUAVLHOA-QIQKBHGESA-N. The full InChI is InChI=1S/C22H22N10O.C19H20N6O2.C17H16N6O2.C14H15N5O.C7H13NO3/c33-20(32-6-5-17-18(12-32)28-31-27-17)9-19-26-21(30-29-19)15-10-23-22(24-11-15)25-16-7-13-3-1-2-4-14(13)8-16;1-2-27-17(26)9-16-23-18(25-24-16)14-10-20-19(21-11-14)22-15-7-12-5-3-4-6-13(12)8-15;24-15(25)7-14-21-16(23-22-14)12-8-18-17(19-9-12)20-13-5-10-3-1-2-4-11(10)6-13;15-19-13(20)11-7-16-14(17-8-11)18-12-5-9-3-1-2-4-10(9)6-12;1-3-10-6(8)5-7(9)11-4-2/h1-4,10-11,16H,5-9,12H2,(H,23,24,25)(H,26,29,30)(H,27,28,31);3-6,10-11,15H,2,7-9H2,1H3,(H,20,21,22)(H,23,24,25);1-4,8-9,13H,5-7H2,(H,24,25)(H,18,19,20)(H,21,22,23);1-4,7-8,12H,5-6,15H2,(H,19,20)(H,16,17,18);8H,3-5H2,1-2H3/b;;;;8-6-.

What are the key properties of 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbohydrazide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetate;ethyl 3-ethoxy-3-iminopropanoate?

2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbohydrazide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetate;ethyl 3-ethoxy-3-iminopropanoate has a molecular weight of 1571.74 g/mol, XLogP of 6.11, 23 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carbohydrazide;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid;2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetate;ethyl 3-ethoxy-3-iminopropanoate is sourced from PubChem (CID 158208082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).