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

C10H11F3N6O2S2 — CID 165126653

IUPAC[2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(-c2nc3n(n2)CCN(S(=O)(=O)C(F)(F)F)C3)s1
InChIInChI=1S/C10H11F3N6O2S2/c11-10(12,13)23(20,21)18-1-2-19-7(5-18)16-8(17-19)9-15-4-6(3-14)22-9/h4H,1-3,5,14H2
InChIKeyGHJIURIUYAFZAN-UHFFFAOYSA-N
MW368.37 g/mol
LogP0.53
Rot. Bonds3

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

[2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1,3-thiazol-5-yl]methanamine (PubChem CID 165126653) has the molecular formula C10H11F3N6O2S2 and a molecular weight of 368.37 g/mol. Its IUPAC name is [2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1,3-thiazol-5-yl]methanamine
PubChem CID165126653
Molecular FormulaC10H11F3N6O2S2
Molecular Weight368.37 g/mol
Exact Mass368.03
IUPAC Name[2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(-c2nc3n(n2)CCN(S(=O)(=O)C(F)(F)F)C3)s1
InChIInChI=1S/C10H11F3N6O2S2/c11-10(12,13)23(20,21)18-1-2-19-7(5-18)16-8(17-19)9-15-4-6(3-14)22-9/h4H,1-3,5,14H2
InChIKeyGHJIURIUYAFZAN-UHFFFAOYSA-N
XLogP0.53
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1,3-thiazol-5-yl]methanamine (CID 165126653) is [2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1,3-thiazol-5-yl]methanamine is NCc1cnc(-c2nc3n(n2)CCN(S(=O)(=O)C(F)(F)F)C3)s1.
What is the InChIKey of [2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is GHJIURIUYAFZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6O2S2/c11-10(12,13)23(20,21)18-1-2-19-7(5-18)16-8(17-19)9-15-4-6(3-14)22-9/h4H,1-3,5,14H2.
What are the key properties of [2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1,3-thiazol-5-yl]methanamine?
[2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 368.37 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 165126653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).