5-N,6-N-bis(6-chloro-3-pyridinyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C14H8Cl2N8O — CID 11538041

IUPAC5-N,6-N-bis(6-chloro-3-pyridinyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESClc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)nc2)cn1
InChIInChI=1S/C14H8Cl2N8O/c15-9-3-1-7(5-17-9)19-11-12(20-8-2-4-10(16)18-6-8)22-14-13(21-11)23-25-24-14/h1-6H,(H,19,21,23)(H,20,22,24)
InChIKeyZGAJCWCCEWXTBB-UHFFFAOYSA-N
MW375.18 g/mol
LogP3.60
Rot. Bonds4

About 5-N,6-N-bis(6-chloro-3-pyridinyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

5-N,6-N-bis(6-chloro-3-pyridinyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 11538041) has the molecular formula C14H8Cl2N8O and a molecular weight of 375.18 g/mol. Its IUPAC name is 5-N,6-N-bis(6-chloro-3-pyridinyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N,6-N-bis(6-chloro-3-pyridinyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID11538041
Molecular FormulaC14H8Cl2N8O
Molecular Weight375.18 g/mol
Exact Mass374.02
IUPAC Name5-N,6-N-bis(6-chloro-3-pyridinyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESClc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)nc2)cn1
InChIInChI=1S/C14H8Cl2N8O/c15-9-3-1-7(5-17-9)19-11-12(20-8-2-4-10(16)18-6-8)22-14-13(21-11)23-25-24-14/h1-6H,(H,19,21,23)(H,20,22,24)
InChIKeyZGAJCWCCEWXTBB-UHFFFAOYSA-N
XLogP3.60
TPSA114.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.18
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-N,6-N-bis(6-chloro-3-pyridinyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N,6-N-bis(6-chloro-3-pyridinyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 11538041) is 5-N,6-N-bis(6-chloro-3-pyridinyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N,6-N-bis(6-chloro-3-pyridinyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N,6-N-bis(6-chloro-3-pyridinyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Clc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)nc2)cn1.
What is the InChIKey of 5-N,6-N-bis(6-chloro-3-pyridinyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is ZGAJCWCCEWXTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N8O/c15-9-3-1-7(5-17-9)19-11-12(20-8-2-4-10(16)18-6-8)22-14-13(21-11)23-25-24-14/h1-6H,(H,19,21,23)(H,20,22,24).
What are the key properties of 5-N,6-N-bis(6-chloro-3-pyridinyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N,6-N-bis(6-chloro-3-pyridinyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 375.18 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,6-N-bis(6-chloro-3-pyridinyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 11538041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).