2-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine

C13H9F3N4 — CID 145476630

IUPAC2-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1nc2cc(-c3ccc(C(F)(F)F)cc3)ncn2n1
InChIInChI=1S/C13H9F3N4/c1-8-18-12-6-11(17-7-20(12)19-8)9-2-4-10(5-3-9)13(14,15)16/h2-7H,1H3
InChIKeyYHZXNBVWDYKNFW-UHFFFAOYSA-N
MW278.24 g/mol
LogP3.12
Rot. Bonds1

About 2-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine

2-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 145476630) has the molecular formula C13H9F3N4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 2-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name2-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID145476630
Molecular FormulaC13H9F3N4
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name2-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1nc2cc(-c3ccc(C(F)(F)F)cc3)ncn2n1
InChIInChI=1S/C13H9F3N4/c1-8-18-12-6-11(17-7-20(12)19-8)9-2-4-10(5-3-9)13(14,15)16/h2-7H,1H3
InChIKeyYHZXNBVWDYKNFW-UHFFFAOYSA-N
XLogP3.12
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-7-(1,2,2,2-tetrafluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 170213685
6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 12726832
2,4-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134617794
2-imidazol-1-yl-4-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 141185333
2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
CID 57468624
2-(4-methylphenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 57022324
4-tert-butyl-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 118230557
6-[2-[[2-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile
CID 59313101
5-ethyl-2-[4-(trifluoromethyl)phenyl]pyridin-4-amine
CID 66691557
2-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole
CID 164581246
4-methyl-2-methylsulfonyl-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 18356784
4-ethyl-2-[4-(trifluoromethyl)phenyl]pyridine
CID 145238167

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 2-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine (CID 145476630) is 2-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 2-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 2-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine is Cc1nc2cc(-c3ccc(C(F)(F)F)cc3)ncn2n1.
What is the InChIKey of 2-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is YHZXNBVWDYKNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4/c1-8-18-12-6-11(17-7-20(12)19-8)9-2-4-10(5-3-9)13(14,15)16/h2-7H,1H3.
What are the key properties of 2-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
2-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 278.24 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 145476630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).