N-(4-fluorophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

C15H17FN7O+ — CID 4523400

IUPACN-(4-fluorophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESC[NH+]1CCN(c2nc3nonc3nc2Nc2ccc(F)cc2)CC1
InChIInChI=1S/C15H16FN7O/c1-22-6-8-23(9-7-22)15-14(17-11-4-2-10(16)3-5-11)18-12-13(19-15)21-24-20-12/h2-5H,6-9H2,1H3,(H,17,18,20)/p+1
InChIKeyNFRMWEFLIDKIJQ-UHFFFAOYSA-O
MW330.35 g/mol
LogP0.23
Rot. Bonds3

About N-(4-fluorophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

N-(4-fluorophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 4523400) has the molecular formula C15H17FN7O+ and a molecular weight of 330.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID4523400
Molecular FormulaC15H17FN7O+
Molecular Weight330.35 g/mol
Exact Mass330.15
IUPAC NameN-(4-fluorophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESC[NH+]1CCN(c2nc3nonc3nc2Nc2ccc(F)cc2)CC1
InChIInChI=1S/C15H16FN7O/c1-22-6-8-23(9-7-22)15-14(17-11-4-2-10(16)3-5-11)18-12-13(19-15)21-24-20-12/h2-5H,6-9H2,1H3,(H,17,18,20)/p+1
InChIKeyNFRMWEFLIDKIJQ-UHFFFAOYSA-O
XLogP0.23
TPSA84.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-(4-fluorophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 4523400) is N-(4-fluorophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is C[NH+]1CCN(c2nc3nonc3nc2Nc2ccc(F)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is NFRMWEFLIDKIJQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16FN7O/c1-22-6-8-23(9-7-22)15-14(17-11-4-2-10(16)3-5-11)18-12-13(19-15)21-24-20-12/h2-5H,6-9H2,1H3,(H,17,18,20)/p+1.
What are the key properties of N-(4-fluorophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
N-(4-fluorophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 330.35 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 4523400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).