5-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H15F3N6 — CID 133435603

IUPAC5-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc3c(c2)N(C)CC3)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C16H15F3N6/c1-9-7-13(25-15(20-9)22-14(23-25)16(17,18)19)21-11-4-3-10-5-6-24(2)12(10)8-11/h3-4,7-8,21H,5-6H2,1-2H3
InChIKeyYZGMRZAIBZCNBW-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.19
Rot. Bonds2

About 5-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133435603) has the molecular formula C16H15F3N6 and a molecular weight of 348.33 g/mol. Its IUPAC name is 5-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133435603
Molecular FormulaC16H15F3N6
Molecular Weight348.33 g/mol
Exact Mass348.13
IUPAC Name5-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc3c(c2)N(C)CC3)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C16H15F3N6/c1-9-7-13(25-15(20-9)22-14(23-25)16(17,18)19)21-11-4-3-10-5-6-24(2)12(10)8-11/h3-4,7-8,21H,5-6H2,1-2H3
InChIKeyYZGMRZAIBZCNBW-UHFFFAOYSA-N
XLogP3.19
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133435603) is 5-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc3c(c2)N(C)CC3)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 5-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YZGMRZAIBZCNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6/c1-9-7-13(25-15(20-9)22-14(23-25)16(17,18)19)21-11-4-3-10-5-6-24(2)12(10)8-11/h3-4,7-8,21H,5-6H2,1-2H3.
What are the key properties of 5-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 348.33 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133435603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).