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

C10H11F3N6S — CID 64579477

IUPAC[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(N2CCn3c(nnc3C(F)(F)F)C2)s1
InChIInChI=1S/C10H11F3N6S/c11-10(12,13)8-17-16-7-5-18(1-2-19(7)8)9-15-4-6(3-14)20-9/h4H,1-3,5,14H2
InChIKeyNKXNJAIEGGRRQG-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.23
Rot. Bonds2

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

[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanamine (PubChem CID 64579477) has the molecular formula C10H11F3N6S and a molecular weight of 304.30 g/mol. Its IUPAC name is [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanamine
PubChem CID64579477
Molecular FormulaC10H11F3N6S
Molecular Weight304.30 g/mol
Exact Mass304.07
IUPAC Name[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(N2CCn3c(nnc3C(F)(F)F)C2)s1
InChIInChI=1S/C10H11F3N6S/c11-10(12,13)8-17-16-7-5-18(1-2-19(7)8)9-15-4-6(3-14)20-9/h4H,1-3,5,14H2
InChIKeyNKXNJAIEGGRRQG-UHFFFAOYSA-N
XLogP1.23
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanamine (CID 64579477) is [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanamine is NCc1cnc(N2CCn3c(nnc3C(F)(F)F)C2)s1.
What is the InChIKey of [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is NKXNJAIEGGRRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6S/c11-10(12,13)8-17-16-7-5-18(1-2-19(7)8)9-15-4-6(3-14)20-9/h4H,1-3,5,14H2.
What are the key properties of [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanamine?
[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 304.30 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 64579477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).