5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C16H21N7O2 — CID 42198661

IUPAC5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCCc1ccc(CN(C)c2nc3nonc3nc2NCCOC)nc1
InChIInChI=1S/C16H21N7O2/c1-4-11-5-6-12(18-9-11)10-23(2)16-15(17-7-8-24-3)19-13-14(20-16)22-25-21-13/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,19,21)
InChIKeyOGEVOBXKHYKRBQ-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.66
Rot. Bonds8

About 5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 42198661) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID42198661
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCCc1ccc(CN(C)c2nc3nonc3nc2NCCOC)nc1
InChIInChI=1S/C16H21N7O2/c1-4-11-5-6-12(18-9-11)10-23(2)16-15(17-7-8-24-3)19-13-14(20-16)22-25-21-13/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,19,21)
InChIKeyOGEVOBXKHYKRBQ-UHFFFAOYSA-N
XLogP1.66
TPSA102.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 42198661) is 5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is CCc1ccc(CN(C)c2nc3nonc3nc2NCCOC)nc1.
What is the InChIKey of 5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is OGEVOBXKHYKRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O2/c1-4-11-5-6-12(18-9-11)10-23(2)16-15(17-7-8-24-3)19-13-14(20-16)22-25-21-13/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,19,21).
What are the key properties of 5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 343.39 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(5-ethyl-2-pyridinyl)methyl]-6-N-(2-methoxyethyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 42198661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).