8-methylidene-7-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine

C10H13F3N4 — CID 163390333

IUPAC8-methylidene-7-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC=C1c2nnc(C(F)(F)F)n2CCN1C(C)C
InChIInChI=1S/C10H13F3N4/c1-6(2)16-4-5-17-8(7(16)3)14-15-9(17)10(11,12)13/h6H,3-5H2,1-2H3
InChIKeyHRLKZUMPPVLIFY-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.99
Rot. Bonds1

About 8-methylidene-7-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine

8-methylidene-7-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 163390333) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 8-methylidene-7-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-methylidene-7-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID163390333
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name8-methylidene-7-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC=C1c2nnc(C(F)(F)F)n2CCN1C(C)C
InChIInChI=1S/C10H13F3N4/c1-6(2)16-4-5-17-8(7(16)3)14-15-9(17)10(11,12)13/h6H,3-5H2,1-2H3
InChIKeyHRLKZUMPPVLIFY-UHFFFAOYSA-N
XLogP1.99
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methylidene-7-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-methylidene-7-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 163390333) is 8-methylidene-7-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-methylidene-7-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-methylidene-7-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine is C=C1c2nnc(C(F)(F)F)n2CCN1C(C)C.
What is the InChIKey of 8-methylidene-7-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is HRLKZUMPPVLIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c1-6(2)16-4-5-17-8(7(16)3)14-15-9(17)10(11,12)13/h6H,3-5H2,1-2H3.
What are the key properties of 8-methylidene-7-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-methylidene-7-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 246.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylidene-7-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 163390333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).