N-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-fluoropyrazin-2-amine

C10H13FN4 — CID 164648222

IUPACN-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-fluoropyrazin-2-amine
SMILESFc1nccnc1NCCN1CC=CC1
InChIInChI=1S/C10H13FN4/c11-9-10(13-4-3-12-9)14-5-8-15-6-1-2-7-15/h1-4H,5-8H2,(H,13,14)
InChIKeyGJXCPGNVGWYBOX-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.90
Rot. Bonds4

About N-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-fluoropyrazin-2-amine

N-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-fluoropyrazin-2-amine (PubChem CID 164648222) has the molecular formula C10H13FN4 and a molecular weight of 208.24 g/mol. Its IUPAC name is N-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-fluoropyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-fluoropyrazin-2-amine
PubChem CID164648222
Molecular FormulaC10H13FN4
Molecular Weight208.24 g/mol
Exact Mass208.11
IUPAC NameN-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-fluoropyrazin-2-amine
SMILESFc1nccnc1NCCN1CC=CC1
InChIInChI=1S/C10H13FN4/c11-9-10(13-4-3-12-9)14-5-8-15-6-1-2-7-15/h1-4H,5-8H2,(H,13,14)
InChIKeyGJXCPGNVGWYBOX-UHFFFAOYSA-N
XLogP0.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-fluoropyrazin-2-amine?
The IUPAC name of N-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-fluoropyrazin-2-amine (CID 164648222) is N-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-fluoropyrazin-2-amine.
What is the SMILES notation for N-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-fluoropyrazin-2-amine?
The canonical SMILES for N-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-fluoropyrazin-2-amine is Fc1nccnc1NCCN1CC=CC1.
What is the InChIKey of N-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-fluoropyrazin-2-amine?
The InChIKey is GJXCPGNVGWYBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4/c11-9-10(13-4-3-12-9)14-5-8-15-6-1-2-7-15/h1-4H,5-8H2,(H,13,14).
What are the key properties of N-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-fluoropyrazin-2-amine?
N-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-fluoropyrazin-2-amine has a molecular weight of 208.24 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-fluoropyrazin-2-amine is sourced from PubChem (CID 164648222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).