7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C11H18F2N4 — CID 58315203

IUPAC7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)N1CCN2C(=NN=C2C(C)(F)F)C1
InChIInChI=1S/C11H18F2N4/c1-10(2,3)16-5-6-17-8(7-16)14-15-9(17)11(4,12)13/h5-7H2,1-4H3
InChIKeyRTPCKPMIVNCYMK-UHFFFAOYSA-N
MW244.28 g/mol
LogP0.80
Rot. Bonds2

About 7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 58315203) has the molecular formula C11H18F2N4 and a molecular weight of 244.28 g/mol. Its IUPAC name is 7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID58315203
Molecular FormulaC11H18F2N4
Molecular Weight244.28 g/mol
Exact Mass244.15
IUPAC Name7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)N1CCN2C(=NN=C2C(C)(F)F)C1
InChIInChI=1S/C11H18F2N4/c1-10(2,3)16-5-6-17-8(7-16)14-15-9(17)11(4,12)13/h5-7H2,1-4H3
InChIKeyRTPCKPMIVNCYMK-UHFFFAOYSA-N
XLogP0.80
TPSA34.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity290

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

3-(2,2,2-trifluoroethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 62588062
6-methyl-3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 69363923
7-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 70214013
8-methyl-3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine dihydrochloride
CID 137951311
3-tert-butyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 59539714
2-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}propan-2-amine
CID 81057053
3-tert-butyl-7-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 138033007
5-Methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 24777182
5,8-Dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine, hydrochloride
CID 24777310
5,8-Dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 24777311
5,5-Dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 24777575
(8R)-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 34176349

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 58315203) is 7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)(C)N1CCN2C(=NN=C2C(C)(F)F)C1.
What is the InChIKey of 7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is RTPCKPMIVNCYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4/c1-10(2,3)16-5-6-17-8(7-16)14-15-9(17)11(4,12)13/h5-7H2,1-4H3.
What are the key properties of 7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 244.28 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 58315203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).