3-(difluoromethyl)-1,2,3,6-tetrahydropyrazin-5-amine

C5H9F2N3 — CID 141299458

IUPAC3-(difluoromethyl)-1,2,3,6-tetrahydropyrazin-5-amine
SMILESNC1=NC(C(F)F)CNC1
InChIInChI=1S/C5H9F2N3/c6-5(7)3-1-9-2-4(8)10-3/h3,5,9H,1-2H2,(H2,8,10)
InChIKeyOSOZZVHRYTWVLW-UHFFFAOYSA-N
MW149.14 g/mol
LogP-0.42
Rot. Bonds1

About 3-(difluoromethyl)-1,2,3,6-tetrahydropyrazin-5-amine

3-(difluoromethyl)-1,2,3,6-tetrahydropyrazin-5-amine (PubChem CID 141299458) has the molecular formula C5H9F2N3 and a molecular weight of 149.14 g/mol. Its IUPAC name is 3-(difluoromethyl)-1,2,3,6-tetrahydropyrazin-5-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-1,2,3,6-tetrahydropyrazin-5-amine
PubChem CID141299458
Molecular FormulaC5H9F2N3
Molecular Weight149.14 g/mol
Exact Mass149.08
IUPAC Name3-(difluoromethyl)-1,2,3,6-tetrahydropyrazin-5-amine
SMILESNC1=NC(C(F)F)CNC1
InChIInChI=1S/C5H9F2N3/c6-5(7)3-1-9-2-4(8)10-3/h3,5,9H,1-2H2,(H2,8,10)
InChIKeyOSOZZVHRYTWVLW-UHFFFAOYSA-N
XLogP-0.42
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1,2,3,6-tetrahydropyrazin-5-amine?
The IUPAC name of 3-(difluoromethyl)-1,2,3,6-tetrahydropyrazin-5-amine (CID 141299458) is 3-(difluoromethyl)-1,2,3,6-tetrahydropyrazin-5-amine.
What is the SMILES notation for 3-(difluoromethyl)-1,2,3,6-tetrahydropyrazin-5-amine?
The canonical SMILES for 3-(difluoromethyl)-1,2,3,6-tetrahydropyrazin-5-amine is NC1=NC(C(F)F)CNC1.
What is the InChIKey of 3-(difluoromethyl)-1,2,3,6-tetrahydropyrazin-5-amine?
The InChIKey is OSOZZVHRYTWVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N3/c6-5(7)3-1-9-2-4(8)10-3/h3,5,9H,1-2H2,(H2,8,10).
What are the key properties of 3-(difluoromethyl)-1,2,3,6-tetrahydropyrazin-5-amine?
3-(difluoromethyl)-1,2,3,6-tetrahydropyrazin-5-amine has a molecular weight of 149.14 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1,2,3,6-tetrahydropyrazin-5-amine is sourced from PubChem (CID 141299458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).