2-N-(3,3,3-trifluoropropyl)pyrazine-2,5-diamine

C7H9F3N4 — CID 80653593

IUPAC2-N-(3,3,3-trifluoropropyl)pyrazine-2,5-diamine
SMILESNc1cnc(NCCC(F)(F)F)cn1
InChIInChI=1S/C7H9F3N4/c8-7(9,10)1-2-12-6-4-13-5(11)3-14-6/h3-4H,1-2H2,(H2,11,13)(H,12,14)
InChIKeyVGEWUWKVYZIGKI-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.42
Rot. Bonds3

About 2-N-(3,3,3-trifluoropropyl)pyrazine-2,5-diamine

2-N-(3,3,3-trifluoropropyl)pyrazine-2,5-diamine (PubChem CID 80653593) has the molecular formula C7H9F3N4 and a molecular weight of 206.17 g/mol. Its IUPAC name is 2-N-(3,3,3-trifluoropropyl)pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3,3,3-trifluoropropyl)pyrazine-2,5-diamine
PubChem CID80653593
Molecular FormulaC7H9F3N4
Molecular Weight206.17 g/mol
Exact Mass206.08
IUPAC Name2-N-(3,3,3-trifluoropropyl)pyrazine-2,5-diamine
SMILESNc1cnc(NCCC(F)(F)F)cn1
InChIInChI=1S/C7H9F3N4/c8-7(9,10)1-2-12-6-4-13-5(11)3-14-6/h3-4H,1-2H2,(H2,11,13)(H,12,14)
InChIKeyVGEWUWKVYZIGKI-UHFFFAOYSA-N
XLogP1.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,3,3-trifluoropropyl)pyrazine-2,5-diamine?
The IUPAC name of 2-N-(3,3,3-trifluoropropyl)pyrazine-2,5-diamine (CID 80653593) is 2-N-(3,3,3-trifluoropropyl)pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-(3,3,3-trifluoropropyl)pyrazine-2,5-diamine?
The canonical SMILES for 2-N-(3,3,3-trifluoropropyl)pyrazine-2,5-diamine is Nc1cnc(NCCC(F)(F)F)cn1.
What is the InChIKey of 2-N-(3,3,3-trifluoropropyl)pyrazine-2,5-diamine?
The InChIKey is VGEWUWKVYZIGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4/c8-7(9,10)1-2-12-6-4-13-5(11)3-14-6/h3-4H,1-2H2,(H2,11,13)(H,12,14).
What are the key properties of 2-N-(3,3,3-trifluoropropyl)pyrazine-2,5-diamine?
2-N-(3,3,3-trifluoropropyl)pyrazine-2,5-diamine has a molecular weight of 206.17 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,3,3-trifluoropropyl)pyrazine-2,5-diamine is sourced from PubChem (CID 80653593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).