5-methyl-7-[(1R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C15H19F3N6 — CID 167946807

IUPAC5-methyl-7-[(1R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2C3CC[C@@H]2CN(C)CC3)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C15H19F3N6/c1-9-7-12(23-10-3-4-11(23)8-22(2)6-5-10)24-14(19-9)20-13(21-24)15(16,17)18/h7,10-11H,3-6,8H2,1-2H3/t10?,11-/m1/s1
InChIKeyAYNVMMDYDVRWPF-RRKGBCIJSA-N
MW340.35 g/mol
LogP2.12
Rot. Bonds1

About 5-methyl-7-[(1R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-7-[(1R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 167946807) has the molecular formula C15H19F3N6 and a molecular weight of 340.35 g/mol. Its IUPAC name is 5-methyl-7-[(1R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-[(1R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID167946807
Molecular FormulaC15H19F3N6
Molecular Weight340.35 g/mol
Exact Mass340.16
IUPAC Name5-methyl-7-[(1R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2C3CC[C@@H]2CN(C)CC3)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C15H19F3N6/c1-9-7-12(23-10-3-4-11(23)8-22(2)6-5-10)24-14(19-9)20-13(21-24)15(16,17)18/h7,10-11H,3-6,8H2,1-2H3/t10?,11-/m1/s1
InChIKeyAYNVMMDYDVRWPF-RRKGBCIJSA-N
XLogP2.12
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[(1R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-[(1R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 167946807) is 5-methyl-7-[(1R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-[(1R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-[(1R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2C3CC[C@@H]2CN(C)CC3)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 5-methyl-7-[(1R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is AYNVMMDYDVRWPF-RRKGBCIJSA-N. The full InChI is InChI=1S/C15H19F3N6/c1-9-7-12(23-10-3-4-11(23)8-22(2)6-5-10)24-14(19-9)20-13(21-24)15(16,17)18/h7,10-11H,3-6,8H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of 5-methyl-7-[(1R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-[(1R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 340.35 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[(1R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 167946807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).