8-methylidene-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-c]pyrimidine

C9H10F3N3 — CID 143706020

IUPAC8-methylidene-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-c]pyrimidine
SMILESC=C1C=C2CNCCN2C(C(F)(F)F)=N1
InChIInChI=1S/C9H10F3N3/c1-6-4-7-5-13-2-3-15(7)8(14-6)9(10,11)12/h4,13H,1-3,5H2
InChIKeyZWXQNCWZPDBHQB-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.26
Rot. Bonds

About 8-methylidene-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-c]pyrimidine

8-methylidene-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-c]pyrimidine (PubChem CID 143706020) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 8-methylidene-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-c]pyrimidine.

Molecular Properties

Compound Name8-methylidene-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-c]pyrimidine
PubChem CID143706020
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name8-methylidene-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-c]pyrimidine
SMILESC=C1C=C2CNCCN2C(C(F)(F)F)=N1
InChIInChI=1S/C9H10F3N3/c1-6-4-7-5-13-2-3-15(7)8(14-6)9(10,11)12/h4,13H,1-3,5H2
InChIKeyZWXQNCWZPDBHQB-UHFFFAOYSA-N
XLogP1.26
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methylidene-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-c]pyrimidine?
The IUPAC name of 8-methylidene-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-c]pyrimidine (CID 143706020) is 8-methylidene-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-c]pyrimidine.
What is the SMILES notation for 8-methylidene-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-c]pyrimidine?
The canonical SMILES for 8-methylidene-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-c]pyrimidine is C=C1C=C2CNCCN2C(C(F)(F)F)=N1.
What is the InChIKey of 8-methylidene-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-c]pyrimidine?
The InChIKey is ZWXQNCWZPDBHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c1-6-4-7-5-13-2-3-15(7)8(14-6)9(10,11)12/h4,13H,1-3,5H2.
What are the key properties of 8-methylidene-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-c]pyrimidine?
8-methylidene-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-c]pyrimidine has a molecular weight of 217.19 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylidene-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-c]pyrimidine is sourced from PubChem (CID 143706020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).