7-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C14H14F3N7 — CID 126825743

IUPAC7-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(c3ncc[nH]3)C2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C14H14F3N7/c1-8-6-10(23-5-2-9(7-23)11-18-3-4-19-11)24-13(20-8)21-12(22-24)14(15,16)17/h3-4,6,9H,2,5,7H2,1H3,(H,18,19)
InChIKeyBACCZUXJLYNRGE-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.17
Rot. Bonds2

About 7-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

7-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 126825743) has the molecular formula C14H14F3N7 and a molecular weight of 337.31 g/mol. Its IUPAC name is 7-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID126825743
Molecular FormulaC14H14F3N7
Molecular Weight337.31 g/mol
Exact Mass337.13
IUPAC Name7-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(c3ncc[nH]3)C2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C14H14F3N7/c1-8-6-10(23-5-2-9(7-23)11-18-3-4-19-11)24-13(20-8)21-12(22-24)14(15,16)17/h3-4,6,9H,2,5,7H2,1H3,(H,18,19)
InChIKeyBACCZUXJLYNRGE-UHFFFAOYSA-N
XLogP2.17
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 126825743) is 7-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCC(c3ncc[nH]3)C2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 7-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is BACCZUXJLYNRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N7/c1-8-6-10(23-5-2-9(7-23)11-18-3-4-19-11)24-13(20-8)21-12(22-24)14(15,16)17/h3-4,6,9H,2,5,7H2,1H3,(H,18,19).
What are the key properties of 7-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 337.31 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 126825743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).