5-aminopyrazine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile

C39H25Cl4N19O4 — CID 172921116

About 5-aminopyrazine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile

5-aminopyrazine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile (PubChem CID 172921116) has the molecular formula C39H25Cl4N19O4 and a molecular weight of 965.57 g/mol. Its IUPAC name is 5-aminopyrazine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-aminopyrazine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile
• PubChem CID: 172921116
• Molecular Formula: C39H25Cl4N19O4
• Molecular Weight: 965.57 g/mol
• Exact Mass: 963.11
• IUPAC Name: 5-aminopyrazine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile
• SMILES: Clc1ccc(-c2cnc(Cl)o2)nc1.N#Cc1cnc(N)cn1.N#Cc1cnc(Nc2ncc(-c3ccc(Cl)cn3)o2)cn1.N/C(=N\O)c1cnc(Nc2ncc(-c3ccc(Cl)cn3)o2)cn1
• InChI: InChI=1S/C13H10ClN7O2.C13H7ClN6O.C8H4Cl2N2O.C5H4N4/c14-7-1-2-8(16-3-7)10-5-19-13(23-10)20-11-6-17-9(4-18-11)12(15)21-22;14-8-1-2-10(17-4-8)11-6-19-13(21-11)20-12-7-16-9(3-15)5-18-12;9-5-1-2-6(11-3-5)7-4-12-8(10)13-7;6-1-4-2-9-5(7)3-8-4/h1-6,22H,(H2,15,21)(H,18,19,20);1-2,4-7H,(H,18,19,20);1-4H;2-3H,(H2,7,9)
• InChIKey: XLQSKLOZYZURMH-UHFFFAOYSA-N
• XLogP: 7.79
• TPSA: 350.37 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	965.57
LogP ≤ 5	7.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-aminopyrazine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile?

The IUPAC name of 5-aminopyrazine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile (CID 172921116) is 5-aminopyrazine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile.

What is the SMILES notation for 5-aminopyrazine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile?

The canonical SMILES for 5-aminopyrazine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile is Clc1ccc(-c2cnc(Cl)o2)nc1.N#Cc1cnc(N)cn1.N#Cc1cnc(Nc2ncc(-c3ccc(Cl)cn3)o2)cn1.N/C(=N\O)c1cnc(Nc2ncc(-c3ccc(Cl)cn3)o2)cn1.

What is the InChIKey of 5-aminopyrazine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile?

The InChIKey is XLQSKLOZYZURMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN7O2.C13H7ClN6O.C8H4Cl2N2O.C5H4N4/c14-7-1-2-8(16-3-7)10-5-19-13(23-10)20-11-6-17-9(4-18-11)12(15)21-22;14-8-1-2-10(17-4-8)11-6-19-13(21-11)20-12-7-16-9(3-15)5-18-12;9-5-1-2-6(11-3-5)7-4-12-8(10)13-7;6-1-4-2-9-5(7)3-8-4/h1-6,22H,(H2,15,21)(H,18,19,20);1-2,4-7H,(H,18,19,20);1-4H;2-3H,(H2,7,9).

What are the key properties of 5-aminopyrazine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile?

5-aminopyrazine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 965.57 g/mol, XLogP of 7.79, 8 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-aminopyrazine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 172921116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).