methyl 4-[2-[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazine-1-carboxylate;methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;methyl 4-[2-(methylamino)ethyl]piperazine-1-carboxylate;methyl 4-(2-methylsulfonyloxyethyl)piperazine-1-carboxylate;2-piperazin-1-ylethanol

C50H91N17O14S — CID 158442637

About methyl 4-[2-[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazine-1-carboxylate;methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;methyl 4-[2-(methylamino)ethyl]piperazine-1-carboxylate;methyl 4-(2-methylsulfonyloxyethyl)piperazine-1-carboxylate;2-piperazin-1-ylethanol

methyl 4-[2-[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazine-1-carboxylate;methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;methyl 4-[2-(methylamino)ethyl]piperazine-1-carboxylate;methyl 4-(2-methylsulfonyloxyethyl)piperazine-1-carboxylate;2-piperazin-1-ylethanol (PubChem CID 158442637) has the molecular formula C50H91N17O14S and a molecular weight of 1186.45 g/mol. Its IUPAC name is methyl 4-[2-[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazine-1-carboxylate;methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;methyl 4-[2-(methylamino)ethyl]piperazine-1-carboxylate;methyl 4-(2-methylsulfonyloxyethyl)piperazine-1-carboxylate;2-piperazin-1-ylethanol.

Molecular Properties

• Compound Name: methyl 4-[2-[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazine-1-carboxylate;methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;methyl 4-[2-(methylamino)ethyl]piperazine-1-carboxylate;methyl 4-(2-methylsulfonyloxyethyl)piperazine-1-carboxylate;2-piperazin-1-ylethanol
• PubChem CID: 158442637
• Molecular Formula: C50H91N17O14S
• Molecular Weight: 1186.45 g/mol
• Exact Mass: 1185.67
• IUPAC Name: methyl 4-[2-[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazine-1-carboxylate;methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;methyl 4-[2-(methylamino)ethyl]piperazine-1-carboxylate;methyl 4-(2-methylsulfonyloxyethyl)piperazine-1-carboxylate;2-piperazin-1-ylethanol
• SMILES: CNCCN1CCN(C(=O)OC)CC1.COC(=O)N1CCN(CCN(C)c2cc3nc(-c4ccco4)nn3c(N)n2)CC1.COC(=O)N1CCN(CCO)CC1.COC(=O)N1CCN(CCOS(C)(=O)=O)CC1.OCCN1CCNCC1
• InChI: InChI=1S/C18H24N8O3.C9H19N3O2.C9H18N2O5S.C8H16N2O3.C6H14N2O/c1-23(5-6-24-7-9-25(10-8-24)18(27)28-2)14-12-15-20-16(13-4-3-11-29-13)22-26(15)17(19)21-14;1-10-3-4-11-5-7-12(8-6-11)9(13)14-2;1-15-9(12)11-5-3-10(4-6-11)7-8-16-17(2,13)14;1-13-8(12)10-4-2-9(3-5-10)6-7-11;9-6-5-8-3-1-7-2-4-8/h3-4,11-12H,5-10H2,1-2H3,(H2,19,21);10H,3-8H2,1-2H3;3-8H2,1-2H3;11H,2-7H2,1H3;7,9H,1-6H2
• InChIKey: HCZRQHWJEZOCLO-UHFFFAOYSA-N
• XLogP: -2.03
• TPSA: 327.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1186.45
LogP ≤ 5	-2.03
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazine-1-carboxylate;methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;methyl 4-[2-(methylamino)ethyl]piperazine-1-carboxylate;methyl 4-(2-methylsulfonyloxyethyl)piperazine-1-carboxylate;2-piperazin-1-ylethanol?

The IUPAC name of methyl 4-[2-[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazine-1-carboxylate;methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;methyl 4-[2-(methylamino)ethyl]piperazine-1-carboxylate;methyl 4-(2-methylsulfonyloxyethyl)piperazine-1-carboxylate;2-piperazin-1-ylethanol (CID 158442637) is methyl 4-[2-[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazine-1-carboxylate;methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;methyl 4-[2-(methylamino)ethyl]piperazine-1-carboxylate;methyl 4-(2-methylsulfonyloxyethyl)piperazine-1-carboxylate;2-piperazin-1-ylethanol.

What is the SMILES notation for methyl 4-[2-[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazine-1-carboxylate;methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;methyl 4-[2-(methylamino)ethyl]piperazine-1-carboxylate;methyl 4-(2-methylsulfonyloxyethyl)piperazine-1-carboxylate;2-piperazin-1-ylethanol?

The canonical SMILES for methyl 4-[2-[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazine-1-carboxylate;methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;methyl 4-[2-(methylamino)ethyl]piperazine-1-carboxylate;methyl 4-(2-methylsulfonyloxyethyl)piperazine-1-carboxylate;2-piperazin-1-ylethanol is CNCCN1CCN(C(=O)OC)CC1.COC(=O)N1CCN(CCN(C)c2cc3nc(-c4ccco4)nn3c(N)n2)CC1.COC(=O)N1CCN(CCO)CC1.COC(=O)N1CCN(CCOS(C)(=O)=O)CC1.OCCN1CCNCC1.

What is the InChIKey of methyl 4-[2-[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazine-1-carboxylate;methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;methyl 4-[2-(methylamino)ethyl]piperazine-1-carboxylate;methyl 4-(2-methylsulfonyloxyethyl)piperazine-1-carboxylate;2-piperazin-1-ylethanol?

The InChIKey is HCZRQHWJEZOCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O3.C9H19N3O2.C9H18N2O5S.C8H16N2O3.C6H14N2O/c1-23(5-6-24-7-9-25(10-8-24)18(27)28-2)14-12-15-20-16(13-4-3-11-29-13)22-26(15)17(19)21-14;1-10-3-4-11-5-7-12(8-6-11)9(13)14-2;1-15-9(12)11-5-3-10(4-6-11)7-8-16-17(2,13)14;1-13-8(12)10-4-2-9(3-5-10)6-7-11;9-6-5-8-3-1-7-2-4-8/h3-4,11-12H,5-10H2,1-2H3,(H2,19,21);10H,3-8H2,1-2H3;3-8H2,1-2H3;11H,2-7H2,1H3;7,9H,1-6H2.

What are the key properties of methyl 4-[2-[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazine-1-carboxylate;methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;methyl 4-[2-(methylamino)ethyl]piperazine-1-carboxylate;methyl 4-(2-methylsulfonyloxyethyl)piperazine-1-carboxylate;2-piperazin-1-ylethanol?

methyl 4-[2-[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazine-1-carboxylate;methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;methyl 4-[2-(methylamino)ethyl]piperazine-1-carboxylate;methyl 4-(2-methylsulfonyloxyethyl)piperazine-1-carboxylate;2-piperazin-1-ylethanol has a molecular weight of 1186.45 g/mol, XLogP of -2.03, 16 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-[2-[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazine-1-carboxylate;methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;methyl 4-[2-(methylamino)ethyl]piperazine-1-carboxylate;methyl 4-(2-methylsulfonyloxyethyl)piperazine-1-carboxylate;2-piperazin-1-ylethanol is sourced from PubChem (CID 158442637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).