N-(2-iodophenyl)-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

C14H13IN6O — CID 543547

IUPACN-(2-iodophenyl)-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESIc1ccccc1Nc1nc2nonc2nc1N1CCCC1
InChIInChI=1S/C14H13IN6O/c15-9-5-1-2-6-10(9)16-13-14(21-7-3-4-8-21)18-12-11(17-13)19-22-20-12/h1-2,5-6H,3-4,7-8H2,(H,16,17,19)
InChIKeyINFJKYNHGVKHHR-UHFFFAOYSA-N
MW408.20 g/mol
LogP2.96
Rot. Bonds3

About N-(2-iodophenyl)-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

N-(2-iodophenyl)-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 543547) has the molecular formula C14H13IN6O and a molecular weight of 408.20 g/mol. Its IUPAC name is N-(2-iodophenyl)-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(2-iodophenyl)-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID543547
Molecular FormulaC14H13IN6O
Molecular Weight408.20 g/mol
Exact Mass408.02
IUPAC NameN-(2-iodophenyl)-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESIc1ccccc1Nc1nc2nonc2nc1N1CCCC1
InChIInChI=1S/C14H13IN6O/c15-9-5-1-2-6-10(9)16-13-14(21-7-3-4-8-21)18-12-11(17-13)19-22-20-12/h1-2,5-6H,3-4,7-8H2,(H,16,17,19)
InChIKeyINFJKYNHGVKHHR-UHFFFAOYSA-N
XLogP2.96
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.20
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-(2-iodophenyl)-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 543547) is N-(2-iodophenyl)-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-(2-iodophenyl)-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-(2-iodophenyl)-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is Ic1ccccc1Nc1nc2nonc2nc1N1CCCC1.
What is the InChIKey of N-(2-iodophenyl)-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is INFJKYNHGVKHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN6O/c15-9-5-1-2-6-10(9)16-13-14(21-7-3-4-8-21)18-12-11(17-13)19-22-20-12/h1-2,5-6H,3-4,7-8H2,(H,16,17,19).
What are the key properties of N-(2-iodophenyl)-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
N-(2-iodophenyl)-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 408.20 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 543547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).