[5-(3-fluoropyrrol-1-yl)pyrazin-2-yl]methanamine

C9H9FN4 — CID 129105073

IUPAC[5-(3-fluoropyrrol-1-yl)pyrazin-2-yl]methanamine
SMILESNCc1cnc(-n2ccc(F)c2)cn1
InChIInChI=1S/C9H9FN4/c10-7-1-2-14(6-7)9-5-12-8(3-11)4-13-9/h1-2,4-6H,3,11H2
InChIKeyOSNSPAREFYNIEK-UHFFFAOYSA-N
MW192.20 g/mol
LogP0.87
Rot. Bonds2

About [5-(3-fluoropyrrol-1-yl)pyrazin-2-yl]methanamine

[5-(3-fluoropyrrol-1-yl)pyrazin-2-yl]methanamine (PubChem CID 129105073) has the molecular formula C9H9FN4 and a molecular weight of 192.20 g/mol. Its IUPAC name is [5-(3-fluoropyrrol-1-yl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-fluoropyrrol-1-yl)pyrazin-2-yl]methanamine
PubChem CID129105073
Molecular FormulaC9H9FN4
Molecular Weight192.20 g/mol
Exact Mass192.08
IUPAC Name[5-(3-fluoropyrrol-1-yl)pyrazin-2-yl]methanamine
SMILESNCc1cnc(-n2ccc(F)c2)cn1
InChIInChI=1S/C9H9FN4/c10-7-1-2-14(6-7)9-5-12-8(3-11)4-13-9/h1-2,4-6H,3,11H2
InChIKeyOSNSPAREFYNIEK-UHFFFAOYSA-N
XLogP0.87
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3-fluoropyrrol-1-yl)pyrazin-2-yl]methanamine?
The IUPAC name of [5-(3-fluoropyrrol-1-yl)pyrazin-2-yl]methanamine (CID 129105073) is [5-(3-fluoropyrrol-1-yl)pyrazin-2-yl]methanamine.
What is the SMILES notation for [5-(3-fluoropyrrol-1-yl)pyrazin-2-yl]methanamine?
The canonical SMILES for [5-(3-fluoropyrrol-1-yl)pyrazin-2-yl]methanamine is NCc1cnc(-n2ccc(F)c2)cn1.
What is the InChIKey of [5-(3-fluoropyrrol-1-yl)pyrazin-2-yl]methanamine?
The InChIKey is OSNSPAREFYNIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4/c10-7-1-2-14(6-7)9-5-12-8(3-11)4-13-9/h1-2,4-6H,3,11H2.
What are the key properties of [5-(3-fluoropyrrol-1-yl)pyrazin-2-yl]methanamine?
[5-(3-fluoropyrrol-1-yl)pyrazin-2-yl]methanamine has a molecular weight of 192.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluoropyrrol-1-yl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 129105073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).