tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[4,3-a]pyrazine;1-phenyl-1,2,4-triazole-3-carboxylic acid;1-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine

C64H77ClN30O7 — CID 164984997

About tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[4,3-a]pyrazine;1-phenyl-1,2,4-triazole-3-carboxylic acid;1-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine

tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[4,3-a]pyrazine;1-phenyl-1,2,4-triazole-3-carboxylic acid;1-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine (PubChem CID 164984997) has the molecular formula C64H77ClN30O7 and a molecular weight of 1413.98 g/mol. Its IUPAC name is tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[4,3-a]pyrazine;1-phenyl-1,2,4-triazole-3-carboxylic acid;1-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine.

Molecular Properties

• Compound Name: tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[4,3-a]pyrazine;1-phenyl-1,2,4-triazole-3-carboxylic acid;1-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine
• PubChem CID: 164984997
• Molecular Formula: C64H77ClN30O7
• Molecular Weight: 1413.98 g/mol
• Exact Mass: 1412.63
• IUPAC Name: tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[4,3-a]pyrazine;1-phenyl-1,2,4-triazole-3-carboxylic acid;1-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine
• SMILES: CC(C)(C)OC(=O)N[C@H]1CCN(c2nccn3cnnc23)C1.CC(C)(C)OC(=O)N[C@H]1CCNC1.Clc1nccn2cnnc12.N[C@H]1CCN(c2nccn3cnnc23)C1.O=C(NC1CCN(c2nccn3cnnc23)C1)c1ncn(-c2ccccc2)n1.O=C(O)c1ncn(-c2ccccc2)n1
• InChI: InChI=1S/C18H17N9O.C14H20N6O2.C9H12N6.C9H7N3O2.C9H18N2O2.C5H3ClN4/c28-18(15-20-11-27(24-15)14-4-2-1-3-5-14)22-13-6-8-25(10-13)16-17-23-21-12-26(17)9-7-19-16;1-14(2,3)22-13(21)17-10-4-6-19(8-10)11-12-18-16-9-20(12)7-5-15-11;10-7-1-3-14(5-7)8-9-13-12-6-15(9)4-2-11-8;13-9(14)8-10-6-12(11-8)7-4-2-1-3-5-7;1-9(2,3)13-8(12)11-7-4-5-10-6-7;6-4-5-9-8-3-10(5)2-1-7-4/h1-5,7,9,11-13H,6,8,10H2,(H,22,28);5,7,9-10H,4,6,8H2,1-3H3,(H,17,21);2,4,6-7H,1,3,5,10H2;1-6H,(H,13,14);7,10H,4-6H2,1-3H3,(H,11,12);1-3H/t;10-;7-;;7-;/m.00.0./s1
• InChIKey: GAJZZUCZMSAFGO-HRSSNEKMSA-N
• XLogP: 4.22
• TPSA: 424.57 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 10
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1413.98
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[4,3-a]pyrazine;1-phenyl-1,2,4-triazole-3-carboxylic acid;1-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine?

The IUPAC name of tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[4,3-a]pyrazine;1-phenyl-1,2,4-triazole-3-carboxylic acid;1-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine (CID 164984997) is tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[4,3-a]pyrazine;1-phenyl-1,2,4-triazole-3-carboxylic acid;1-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine.

What is the SMILES notation for tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[4,3-a]pyrazine;1-phenyl-1,2,4-triazole-3-carboxylic acid;1-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine?

The canonical SMILES for tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[4,3-a]pyrazine;1-phenyl-1,2,4-triazole-3-carboxylic acid;1-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine is CC(C)(C)OC(=O)N[C@H]1CCN(c2nccn3cnnc23)C1.CC(C)(C)OC(=O)N[C@H]1CCNC1.Clc1nccn2cnnc12.N[C@H]1CCN(c2nccn3cnnc23)C1.O=C(NC1CCN(c2nccn3cnnc23)C1)c1ncn(-c2ccccc2)n1.O=C(O)c1ncn(-c2ccccc2)n1.

What is the InChIKey of tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[4,3-a]pyrazine;1-phenyl-1,2,4-triazole-3-carboxylic acid;1-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine?

The InChIKey is GAJZZUCZMSAFGO-HRSSNEKMSA-N. The full InChI is InChI=1S/C18H17N9O.C14H20N6O2.C9H12N6.C9H7N3O2.C9H18N2O2.C5H3ClN4/c28-18(15-20-11-27(24-15)14-4-2-1-3-5-14)22-13-6-8-25(10-13)16-17-23-21-12-26(17)9-7-19-16;1-14(2,3)22-13(21)17-10-4-6-19(8-10)11-12-18-16-9-20(12)7-5-15-11;10-7-1-3-14(5-7)8-9-13-12-6-15(9)4-2-11-8;13-9(14)8-10-6-12(11-8)7-4-2-1-3-5-7;1-9(2,3)13-8(12)11-7-4-5-10-6-7;6-4-5-9-8-3-10(5)2-1-7-4/h1-5,7,9,11-13H,6,8,10H2,(H,22,28);5,7,9-10H,4,6,8H2,1-3H3,(H,17,21);2,4,6-7H,1,3,5,10H2;1-6H,(H,13,14);7,10H,4-6H2,1-3H3,(H,11,12);1-3H/t;10-;7-;;7-;/m.00.0./s1.

What are the key properties of tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[4,3-a]pyrazine;1-phenyl-1,2,4-triazole-3-carboxylic acid;1-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine?

tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[4,3-a]pyrazine;1-phenyl-1,2,4-triazole-3-carboxylic acid;1-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine has a molecular weight of 1413.98 g/mol, XLogP of 4.22, 10 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate;tert-butyl N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]carbamate;8-chloro-[1,2,4]triazolo[4,3-a]pyrazine;1-phenyl-1,2,4-triazole-3-carboxylic acid;1-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine is sourced from PubChem (CID 164984997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).