6-N-ethyl-2-N-(3,3,3-trifluoropropyl)pyrazine-2,6-diamine

C9H13F3N4 — CID 79034081

IUPAC6-N-ethyl-2-N-(3,3,3-trifluoropropyl)pyrazine-2,6-diamine
SMILESCCNc1cncc(NCCC(F)(F)F)n1
InChIInChI=1S/C9H13F3N4/c1-2-14-7-5-13-6-8(16-7)15-4-3-9(10,11)12/h5-6H,2-4H2,1H3,(H2,14,15,16)
InChIKeyCZAVXDNHFOXSMV-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.27
Rot. Bonds5

About 6-N-ethyl-2-N-(3,3,3-trifluoropropyl)pyrazine-2,6-diamine

6-N-ethyl-2-N-(3,3,3-trifluoropropyl)pyrazine-2,6-diamine (PubChem CID 79034081) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 6-N-ethyl-2-N-(3,3,3-trifluoropropyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-N-(3,3,3-trifluoropropyl)pyrazine-2,6-diamine
PubChem CID79034081
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name6-N-ethyl-2-N-(3,3,3-trifluoropropyl)pyrazine-2,6-diamine
SMILESCCNc1cncc(NCCC(F)(F)F)n1
InChIInChI=1S/C9H13F3N4/c1-2-14-7-5-13-6-8(16-7)15-4-3-9(10,11)12/h5-6H,2-4H2,1H3,(H2,14,15,16)
InChIKeyCZAVXDNHFOXSMV-UHFFFAOYSA-N
XLogP2.27
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-N-(3,3,3-trifluoropropyl)pyrazine-2,6-diamine?
The IUPAC name of 6-N-ethyl-2-N-(3,3,3-trifluoropropyl)pyrazine-2,6-diamine (CID 79034081) is 6-N-ethyl-2-N-(3,3,3-trifluoropropyl)pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-N-(3,3,3-trifluoropropyl)pyrazine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-2-N-(3,3,3-trifluoropropyl)pyrazine-2,6-diamine is CCNc1cncc(NCCC(F)(F)F)n1.
What is the InChIKey of 6-N-ethyl-2-N-(3,3,3-trifluoropropyl)pyrazine-2,6-diamine?
The InChIKey is CZAVXDNHFOXSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-2-14-7-5-13-6-8(16-7)15-4-3-9(10,11)12/h5-6H,2-4H2,1H3,(H2,14,15,16).
What are the key properties of 6-N-ethyl-2-N-(3,3,3-trifluoropropyl)pyrazine-2,6-diamine?
6-N-ethyl-2-N-(3,3,3-trifluoropropyl)pyrazine-2,6-diamine has a molecular weight of 234.22 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-N-(3,3,3-trifluoropropyl)pyrazine-2,6-diamine is sourced from PubChem (CID 79034081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).