5-(3-phenylpyrrolidin-1-yl)pyrazin-2-amine

C14H16N4 — CID 80652395

IUPAC5-(3-phenylpyrrolidin-1-yl)pyrazin-2-amine
SMILESNc1cnc(N2CCC(c3ccccc3)C2)cn1
InChIInChI=1S/C14H16N4/c15-13-8-17-14(9-16-13)18-7-6-12(10-18)11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10H2,(H2,15,16)
InChIKeyWTONQTQMXRSNCD-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.05
Rot. Bonds2

About 5-(3-phenylpyrrolidin-1-yl)pyrazin-2-amine

5-(3-phenylpyrrolidin-1-yl)pyrazin-2-amine (PubChem CID 80652395) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-(3-phenylpyrrolidin-1-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(3-phenylpyrrolidin-1-yl)pyrazin-2-amine
PubChem CID80652395
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name5-(3-phenylpyrrolidin-1-yl)pyrazin-2-amine
SMILESNc1cnc(N2CCC(c3ccccc3)C2)cn1
InChIInChI=1S/C14H16N4/c15-13-8-17-14(9-16-13)18-7-6-12(10-18)11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10H2,(H2,15,16)
InChIKeyWTONQTQMXRSNCD-UHFFFAOYSA-N
XLogP2.05
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylpyrrolidin-1-yl)pyrazin-2-amine?
The IUPAC name of 5-(3-phenylpyrrolidin-1-yl)pyrazin-2-amine (CID 80652395) is 5-(3-phenylpyrrolidin-1-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(3-phenylpyrrolidin-1-yl)pyrazin-2-amine?
The canonical SMILES for 5-(3-phenylpyrrolidin-1-yl)pyrazin-2-amine is Nc1cnc(N2CCC(c3ccccc3)C2)cn1.
What is the InChIKey of 5-(3-phenylpyrrolidin-1-yl)pyrazin-2-amine?
The InChIKey is WTONQTQMXRSNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c15-13-8-17-14(9-16-13)18-7-6-12(10-18)11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10H2,(H2,15,16).
What are the key properties of 5-(3-phenylpyrrolidin-1-yl)pyrazin-2-amine?
5-(3-phenylpyrrolidin-1-yl)pyrazin-2-amine has a molecular weight of 240.31 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpyrrolidin-1-yl)pyrazin-2-amine is sourced from PubChem (CID 80652395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).