5-N,6-N-dihexyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C16H28N6O — CID 122192878

IUPAC5-N,6-N-dihexyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCCCCCCNc1nc2nonc2nc1NCCCCCC
InChIInChI=1S/C16H28N6O/c1-3-5-7-9-11-17-13-14(18-12-10-8-6-4-2)20-16-15(19-13)21-23-22-16/h3-12H2,1-2H3,(H,17,19,21)(H,18,20,22)
InChIKeyKQMSWTXXEHDJQI-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.00
Rot. Bonds12

About 5-N,6-N-dihexyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

5-N,6-N-dihexyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 122192878) has the molecular formula C16H28N6O and a molecular weight of 320.44 g/mol. Its IUPAC name is 5-N,6-N-dihexyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N,6-N-dihexyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID122192878
Molecular FormulaC16H28N6O
Molecular Weight320.44 g/mol
Exact Mass320.23
IUPAC Name5-N,6-N-dihexyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCCCCCCNc1nc2nonc2nc1NCCCCCC
InChIInChI=1S/C16H28N6O/c1-3-5-7-9-11-17-13-14(18-12-10-8-6-4-2)20-16-15(19-13)21-23-22-16/h3-12H2,1-2H3,(H,17,19,21)(H,18,20,22)
InChIKeyKQMSWTXXEHDJQI-UHFFFAOYSA-N
XLogP4.00
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-N,6-N-dihexyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine with MolForge

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Related Compounds

2-chloro-N-octylpteridin-4-amine
CID 82459563
6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine
CID 63730254
4-N-hexyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80836327
3,5,6-trichloro-N-decylpyridin-2-amine
CID 102751515
N-decyl-3,5-dimethyl-1,2-oxazol-4-amine
CID 150808567
6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80978049
6-ethoxy-N-hexyl-5-nitro-2-propylpyrimidin-4-amine
CID 82454885
3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine
CID 102759054
2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine
CID 68586329
[[4-(hydroxymethylamino)-6-(octadecylamino)-1,3,5-triazin-2-yl]amino]methanol
CID 158284929
3,5-difluoro-6-N-octylpyridine-2,6-diamine
CID 114074590
3,6-dimethyl-N-pentylpyrazin-2-amine
CID 60631563

Frequently Asked Questions

What is the IUPAC name of 5-N,6-N-dihexyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N,6-N-dihexyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 122192878) is 5-N,6-N-dihexyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N,6-N-dihexyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N,6-N-dihexyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is CCCCCCNc1nc2nonc2nc1NCCCCCC.
What is the InChIKey of 5-N,6-N-dihexyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is KQMSWTXXEHDJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O/c1-3-5-7-9-11-17-13-14(18-12-10-8-6-4-2)20-16-15(19-13)21-23-22-16/h3-12H2,1-2H3,(H,17,19,21)(H,18,20,22).
What are the key properties of 5-N,6-N-dihexyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N,6-N-dihexyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 320.44 g/mol, XLogP of 4.00, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,6-N-dihexyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 122192878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).