5-methyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H13F3N6S — CID 95971241

IUPAC5-methyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC[C@@H](Nc1cc(C)nc2ncnn12)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H13F3N6S/c1-3-8(11-21-9(5-23-11)13(14,15)16)20-10-4-7(2)19-12-17-6-18-22(10)12/h4-6,8,20H,3H2,1-2H3/t8-/m1/s1
InChIKeyZNPZKFVWLPAQSY-MRVPVSSYSA-N
MW342.35 g/mol
LogP3.47
Rot. Bonds4

About 5-methyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95971241) has the molecular formula C13H13F3N6S and a molecular weight of 342.35 g/mol. Its IUPAC name is 5-methyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID95971241
Molecular FormulaC13H13F3N6S
Molecular Weight342.35 g/mol
Exact Mass342.09
IUPAC Name5-methyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC[C@@H](Nc1cc(C)nc2ncnn12)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H13F3N6S/c1-3-8(11-21-9(5-23-11)13(14,15)16)20-10-4-7(2)19-12-17-6-18-22(10)12/h4-6,8,20H,3H2,1-2H3/t8-/m1/s1
InChIKeyZNPZKFVWLPAQSY-MRVPVSSYSA-N
XLogP3.47
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63091597
N-[(1R)-1-(4-chlorophenyl)propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 30039564
6-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyridin-2-amine
CID 133483685
5-chloro-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrimidin-2-amine
CID 124728866
N-(3,3-dimethylbutan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115685845
1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol
CID 115702113
5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63226890
(2S,3S)-3-methyl-2-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pentanoic acid
CID 122050380
N-but-3-en-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115692025
N-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133311880
N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]ethanesulfonamide
CID 71985542
5-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 79040439

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 95971241) is 5-methyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC[C@@H](Nc1cc(C)nc2ncnn12)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 5-methyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZNPZKFVWLPAQSY-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H13F3N6S/c1-3-8(11-21-9(5-23-11)13(14,15)16)20-10-4-7(2)19-12-17-6-18-22(10)12/h4-6,8,20H,3H2,1-2H3/t8-/m1/s1.
What are the key properties of 5-methyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 342.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95971241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).