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

C11H13F3N6S — CID 64579481

IUPAC[4-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(N2CCn3c(nnc3C(F)(F)F)C2)sc1CN
InChIInChI=1S/C11H13F3N6S/c1-6-7(4-15)21-10(16-6)19-2-3-20-8(5-19)17-18-9(20)11(12,13)14/h2-5,15H2,1H3
InChIKeyWVEWZQJWAQRUKY-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.54
Rot. Bonds2

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

[4-methyl-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 64579481) has the molecular formula C11H13F3N6S and a molecular weight of 318.33 g/mol. Its IUPAC name is [4-methyl-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[4-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanamine
PubChem CID64579481
Molecular FormulaC11H13F3N6S
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Name[4-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(N2CCn3c(nnc3C(F)(F)F)C2)sc1CN
InChIInChI=1S/C11H13F3N6S/c1-6-7(4-15)21-10(16-6)19-2-3-20-8(5-19)17-18-9(20)11(12,13)14/h2-5,15H2,1H3
InChIKeyWVEWZQJWAQRUKY-UHFFFAOYSA-N
XLogP1.54
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 75373691
4,5-dimethyl-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole
CID 71971880
2,4-dimethyl-5-{[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl}-1,3-thiazole
CID 165430343
N-methyl-1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-4-yl]methanamine
CID 64578315
[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-4-yl]methanamine
CID 64578316
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 71873033
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 72004996
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 97067043
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 97067044
N-ethyl-4-methyl-5-[3-methyl-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-1,3-thiazol-2-amine
CID 131938825
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 132380831
5-Methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride
CID 67454580

Frequently Asked Questions

What is the IUPAC name of [4-methyl-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 [4-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanamine (CID 64579481) is [4-methyl-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 [4-methyl-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 [4-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanamine is Cc1nc(N2CCn3c(nnc3C(F)(F)F)C2)sc1CN.
What is the InChIKey of [4-methyl-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 WVEWZQJWAQRUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6S/c1-6-7(4-15)21-10(16-6)19-2-3-20-8(5-19)17-18-9(20)11(12,13)14/h2-5,15H2,1H3.
What are the key properties of [4-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]methanamine?
[4-methyl-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 318.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-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 64579481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).