7-piperidin-1-yl-6-propan-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C14H18F3N5 — CID 167337276

IUPAC7-piperidin-1-yl-6-propan-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)c1c(C(F)(F)F)nc2ncnn2c1N1CCCCC1
InChIInChI=1S/C14H18F3N5/c1-9(2)10-11(14(15,16)17)20-13-18-8-19-22(13)12(10)21-6-4-3-5-7-21/h8-9H,3-7H2,1-2H3
InChIKeyKMVLYLFUUWEHQC-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.26
Rot. Bonds2

About 7-piperidin-1-yl-6-propan-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

7-piperidin-1-yl-6-propan-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 167337276) has the molecular formula C14H18F3N5 and a molecular weight of 313.33 g/mol. Its IUPAC name is 7-piperidin-1-yl-6-propan-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-piperidin-1-yl-6-propan-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID167337276
Molecular FormulaC14H18F3N5
Molecular Weight313.33 g/mol
Exact Mass313.15
IUPAC Name7-piperidin-1-yl-6-propan-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)c1c(C(F)(F)F)nc2ncnn2c1N1CCCCC1
InChIInChI=1S/C14H18F3N5/c1-9(2)10-11(14(15,16)17)20-13-18-8-19-22(13)12(10)21-6-4-3-5-7-21/h8-9H,3-7H2,1-2H3
InChIKeyKMVLYLFUUWEHQC-UHFFFAOYSA-N
XLogP3.26
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-piperidin-1-yl-6-propan-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

5-methyl-6-propan-2-yl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 167337186
5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53017023
5-chloro-6-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103076148
6-phenyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 69361247
6-(4-methylpentyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 69362070
7-(azepan-1-yl)-5-chloro-6-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 10134357
7-(4,4-difluoropiperidin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 162521895
2-piperidin-1-yl-3-(trifluoromethyl)quinoxaline
CID 4992006
7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918340
7-(3,3-difluoropyrrolidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 122269226
7-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 97066727
4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449868

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-1-yl-6-propan-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-piperidin-1-yl-6-propan-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 167337276) is 7-piperidin-1-yl-6-propan-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-piperidin-1-yl-6-propan-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-piperidin-1-yl-6-propan-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is CC(C)c1c(C(F)(F)F)nc2ncnn2c1N1CCCCC1.
What is the InChIKey of 7-piperidin-1-yl-6-propan-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is KMVLYLFUUWEHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5/c1-9(2)10-11(14(15,16)17)20-13-18-8-19-22(13)12(10)21-6-4-3-5-7-21/h8-9H,3-7H2,1-2H3.
What are the key properties of 7-piperidin-1-yl-6-propan-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-piperidin-1-yl-6-propan-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 313.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-1-yl-6-propan-2-yl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 167337276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).