5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H16F3N7 — CID 133378129

IUPAC5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(C)Cc2cc(C)[nH]n2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C14H16F3N7/c1-7(4-10-5-9(3)21-22-10)18-11-6-8(2)19-13-20-12(14(15,16)17)23-24(11)13/h5-7,18H,4H2,1-3H3,(H,21,22)
InChIKeyRDZZFSJYOSDCJP-UHFFFAOYSA-N
MW339.33 g/mol
LogP2.53
Rot. Bonds4

About 5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133378129) has the molecular formula C14H16F3N7 and a molecular weight of 339.33 g/mol. Its IUPAC name is 5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133378129
Molecular FormulaC14H16F3N7
Molecular Weight339.33 g/mol
Exact Mass339.14
IUPAC Name5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(C)Cc2cc(C)[nH]n2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C14H16F3N7/c1-7(4-10-5-9(3)21-22-10)18-11-6-8(2)19-13-20-12(14(15,16)17)23-24(11)13/h5-7,18H,4H2,1-3H3,(H,21,22)
InChIKeyRDZZFSJYOSDCJP-UHFFFAOYSA-N
XLogP2.53
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 97340074
5-methyl-N-[1-(oxan-4-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133366229
4-N,4-N-dimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133378151
5-methyl-N-(1-thiophen-2-ylpropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133336478
N-[1-(1H-benzimidazol-2-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133286685
5-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 133453467
5-methyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 94431648
N-[[3-(difluoromethoxy)phenyl]methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 49430311
(2S)-2-N-benzyl-3,3,3-trifluoro-1-N-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propane-1,2-diamine
CID 124721244
N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 4909257
N-[[3-(dimethylamino)phenyl]methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133279688
5-methyl-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133380513

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133378129) is 5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC(C)Cc2cc(C)[nH]n2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RDZZFSJYOSDCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N7/c1-7(4-10-5-9(3)21-22-10)18-11-6-8(2)19-13-20-12(14(15,16)17)23-24(11)13/h5-7,18H,4H2,1-3H3,(H,21,22).
What are the key properties of 5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 339.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133378129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).