5-(azepan-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

C15H20N8O — CID 42194562

IUPAC5-(azepan-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCn1cc(CNc2nc3nonc3nc2N2CCCCCC2)cn1
InChIInChI=1S/C15H20N8O/c1-22-10-11(9-17-22)8-16-14-15(23-6-4-2-3-5-7-23)19-13-12(18-14)20-24-21-13/h9-10H,2-8H2,1H3,(H,16,18,20)
InChIKeyQXIWPZMGOPXIND-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.74
Rot. Bonds4

About 5-(azepan-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

5-(azepan-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 42194562) has the molecular formula C15H20N8O and a molecular weight of 328.38 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID42194562
Molecular FormulaC15H20N8O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name5-(azepan-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCn1cc(CNc2nc3nonc3nc2N2CCCCCC2)cn1
InChIInChI=1S/C15H20N8O/c1-22-10-11(9-17-22)8-16-14-15(23-6-4-2-3-5-7-23)19-13-12(18-14)20-24-21-13/h9-10H,2-8H2,1H3,(H,16,18,20)
InChIKeyQXIWPZMGOPXIND-UHFFFAOYSA-N
XLogP1.74
TPSA97.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of 5-(azepan-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 42194562) is 5-(azepan-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for 5-(azepan-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for 5-(azepan-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is Cn1cc(CNc2nc3nonc3nc2N2CCCCCC2)cn1.
What is the InChIKey of 5-(azepan-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is QXIWPZMGOPXIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8O/c1-22-10-11(9-17-22)8-16-14-15(23-6-4-2-3-5-7-23)19-13-12(18-14)20-24-21-13/h9-10H,2-8H2,1H3,(H,16,18,20).
What are the key properties of 5-(azepan-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
5-(azepan-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 328.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 42194562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).