6-N-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2,6-diamine

C9H11F3N4 — CID 106219602

IUPAC6-N-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2,6-diamine
SMILESCNc1cncc(NC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C9H11F3N4/c1-13-6-4-14-5-7(15-6)16-8(2-3-8)9(10,11)12/h4-5H,2-3H2,1H3,(H2,13,15,16)
InChIKeyGCRBOQAFRCGTIM-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.03
Rot. Bonds3

About 6-N-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2,6-diamine

6-N-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2,6-diamine (PubChem CID 106219602) has the molecular formula C9H11F3N4 and a molecular weight of 232.21 g/mol. Its IUPAC name is 6-N-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2,6-diamine
PubChem CID106219602
Molecular FormulaC9H11F3N4
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC Name6-N-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2,6-diamine
SMILESCNc1cncc(NC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C9H11F3N4/c1-13-6-4-14-5-7(15-6)16-8(2-3-8)9(10,11)12/h4-5H,2-3H2,1H3,(H2,13,15,16)
InChIKeyGCRBOQAFRCGTIM-UHFFFAOYSA-N
XLogP2.03
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2,6-diamine?
The IUPAC name of 6-N-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2,6-diamine (CID 106219602) is 6-N-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2,6-diamine?
The canonical SMILES for 6-N-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2,6-diamine is CNc1cncc(NC2(C(F)(F)F)CC2)n1.
What is the InChIKey of 6-N-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2,6-diamine?
The InChIKey is GCRBOQAFRCGTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4/c1-13-6-4-14-5-7(15-6)16-8(2-3-8)9(10,11)12/h4-5H,2-3H2,1H3,(H2,13,15,16).
What are the key properties of 6-N-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2,6-diamine?
6-N-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2,6-diamine has a molecular weight of 232.21 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2,6-diamine is sourced from PubChem (CID 106219602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).