N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine

C10H11N5OS — CID 134354986

IUPACN-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESc1cnc(-c2noc(CNSC3CC3)n2)cn1
InChIInChI=1S/C10H11N5OS/c1-2-7(1)17-13-6-9-14-10(15-16-9)8-5-11-3-4-12-8/h3-5,7,13H,1-2,6H2
InChIKeyJRTRJIDYISMBFF-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.43
Rot. Bonds5

About N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine

N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine (PubChem CID 134354986) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
PubChem CID134354986
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC NameN-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESc1cnc(-c2noc(CNSC3CC3)n2)cn1
InChIInChI=1S/C10H11N5OS/c1-2-7(1)17-13-6-9-14-10(15-16-9)8-5-11-3-4-12-8/h3-5,7,13H,1-2,6H2
InChIKeyJRTRJIDYISMBFF-UHFFFAOYSA-N
XLogP1.43
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The IUPAC name of N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine (CID 134354986) is N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine.
What is the SMILES notation for N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The canonical SMILES for N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine is c1cnc(-c2noc(CNSC3CC3)n2)cn1.
What is the InChIKey of N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The InChIKey is JRTRJIDYISMBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c1-2-7(1)17-13-6-9-14-10(15-16-9)8-5-11-3-4-12-8/h3-5,7,13H,1-2,6H2.
What are the key properties of N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine has a molecular weight of 249.30 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine is sourced from PubChem (CID 134354986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).