[4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazol-2-yl]methanamine

C11H13F3N6S — CID 64577896

IUPAC[4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(CN2CCn3c(nnc3C(F)(F)F)C2)cs1
InChIInChI=1S/C11H13F3N6S/c12-11(13,14)10-18-17-8-5-19(1-2-20(8)10)4-7-6-21-9(3-15)16-7/h6H,1-5,15H2
InChIKeyHUDNFNYZAKVGMZ-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.23
Rot. Bonds3

About [4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazol-2-yl]methanamine

[4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 64577896) has the molecular formula C11H13F3N6S and a molecular weight of 318.33 g/mol. Its IUPAC name is [4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazol-2-yl]methanamine
PubChem CID64577896
Molecular FormulaC11H13F3N6S
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Name[4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(CN2CCn3c(nnc3C(F)(F)F)C2)cs1
InChIInChI=1S/C11H13F3N6S/c12-11(13,14)10-18-17-8-5-19(1-2-20(8)10)4-7-6-21-9(3-15)16-7/h6H,1-5,15H2
InChIKeyHUDNFNYZAKVGMZ-UHFFFAOYSA-N
XLogP1.23
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazol-2-yl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazol-2-yl]methanamine (CID 64577896) is [4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazol-2-yl]methanamine is NCc1nc(CN2CCn3c(nnc3C(F)(F)F)C2)cs1.
What is the InChIKey of [4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is HUDNFNYZAKVGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6S/c12-11(13,14)10-18-17-8-5-19(1-2-20(8)10)4-7-6-21-9(3-15)16-7/h6H,1-5,15H2.
What are the key properties of [4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazol-2-yl]methanamine?
[4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 318.33 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 64577896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).