3-[2-(fluoromethyl)pyrrolidin-1-yl]pyrazin-2-amine

C9H13FN4 — CID 130908577

IUPAC3-[2-(fluoromethyl)pyrrolidin-1-yl]pyrazin-2-amine
SMILESNc1nccnc1N1CCCC1CF
InChIInChI=1S/C9H13FN4/c10-6-7-2-1-5-14(7)9-8(11)12-3-4-13-9/h3-4,7H,1-2,5-6H2,(H2,11,12)
InChIKeyQFLMGUJSQKOPQI-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.00
Rot. Bonds2

About 3-[2-(fluoromethyl)pyrrolidin-1-yl]pyrazin-2-amine

3-[2-(fluoromethyl)pyrrolidin-1-yl]pyrazin-2-amine (PubChem CID 130908577) has the molecular formula C9H13FN4 and a molecular weight of 196.23 g/mol. Its IUPAC name is 3-[2-(fluoromethyl)pyrrolidin-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[2-(fluoromethyl)pyrrolidin-1-yl]pyrazin-2-amine
PubChem CID130908577
Molecular FormulaC9H13FN4
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC Name3-[2-(fluoromethyl)pyrrolidin-1-yl]pyrazin-2-amine
SMILESNc1nccnc1N1CCCC1CF
InChIInChI=1S/C9H13FN4/c10-6-7-2-1-5-14(7)9-8(11)12-3-4-13-9/h3-4,7H,1-2,5-6H2,(H2,11,12)
InChIKeyQFLMGUJSQKOPQI-UHFFFAOYSA-N
XLogP1.00
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(fluoromethyl)pyrrolidin-1-yl]pyrazin-2-amine?
The IUPAC name of 3-[2-(fluoromethyl)pyrrolidin-1-yl]pyrazin-2-amine (CID 130908577) is 3-[2-(fluoromethyl)pyrrolidin-1-yl]pyrazin-2-amine.
What is the SMILES notation for 3-[2-(fluoromethyl)pyrrolidin-1-yl]pyrazin-2-amine?
The canonical SMILES for 3-[2-(fluoromethyl)pyrrolidin-1-yl]pyrazin-2-amine is Nc1nccnc1N1CCCC1CF.
What is the InChIKey of 3-[2-(fluoromethyl)pyrrolidin-1-yl]pyrazin-2-amine?
The InChIKey is QFLMGUJSQKOPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4/c10-6-7-2-1-5-14(7)9-8(11)12-3-4-13-9/h3-4,7H,1-2,5-6H2,(H2,11,12).
What are the key properties of 3-[2-(fluoromethyl)pyrrolidin-1-yl]pyrazin-2-amine?
3-[2-(fluoromethyl)pyrrolidin-1-yl]pyrazin-2-amine has a molecular weight of 196.23 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(fluoromethyl)pyrrolidin-1-yl]pyrazin-2-amine is sourced from PubChem (CID 130908577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).