5-cyclopropyl-7-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C14H11F3N6 — CID 46851492

IUPAC5-cyclopropyl-7-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cnc(C(F)(F)F)nc1-c1cc(C2CC2)nc2ncnn12
InChIInChI=1S/C14H11F3N6/c1-7-5-18-12(14(15,16)17)22-11(7)10-4-9(8-2-3-8)21-13-19-6-20-23(10)13/h4-6,8H,2-3H2,1H3
InChIKeyUBYYJOOSQSMIQP-UHFFFAOYSA-N
MW320.28 g/mol
LogP2.79
Rot. Bonds2

About 5-cyclopropyl-7-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

5-cyclopropyl-7-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 46851492) has the molecular formula C14H11F3N6 and a molecular weight of 320.28 g/mol. Its IUPAC name is 5-cyclopropyl-7-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-cyclopropyl-7-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID46851492
Molecular FormulaC14H11F3N6
Molecular Weight320.28 g/mol
Exact Mass320.10
IUPAC Name5-cyclopropyl-7-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cnc(C(F)(F)F)nc1-c1cc(C2CC2)nc2ncnn12
InChIInChI=1S/C14H11F3N6/c1-7-5-18-12(14(15,16)17)22-11(7)10-4-9(8-2-3-8)21-13-19-6-20-23(10)13/h4-6,8H,2-3H2,1H3
InChIKeyUBYYJOOSQSMIQP-UHFFFAOYSA-N
XLogP2.79
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 131065089
5-cyclohexyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 178156597
oxolan-2-yl-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone
CID 46954977
2-(2,4-dimethylphenoxy)-1-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]propan-1-one
CID 110221484
2-hydroxypropane-1,2,3-tricarboxylic acid;(2-methylcyclopropyl)-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone
CID 171670466
5-(1-butylpiperidin-3-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 110245276
4-(azetidin-1-yl)-5-methyl-2-(trifluoromethyl)pyrimidine
CID 169072227
[(1R)-3,4-dihydro-1H-isochromen-1-yl]-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone
CID 92576255
4,5-dimethyl-2-(trifluoromethyl)pyrimidine;ethane
CID 168939240
2-phenyl-1-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]butan-1-one
CID 110221475
2-cyclopropyl-6-methyl-4-(trifluoromethyl)pyridine
CID 71573882
5-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 110245298

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-cyclopropyl-7-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 46851492) is 5-cyclopropyl-7-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-cyclopropyl-7-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-cyclopropyl-7-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cnc(C(F)(F)F)nc1-c1cc(C2CC2)nc2ncnn12.
What is the InChIKey of 5-cyclopropyl-7-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is UBYYJOOSQSMIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N6/c1-7-5-18-12(14(15,16)17)22-11(7)10-4-9(8-2-3-8)21-13-19-6-20-23(10)13/h4-6,8H,2-3H2,1H3.
What are the key properties of 5-cyclopropyl-7-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5-cyclopropyl-7-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 320.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 46851492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).