8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrimidine

C16H10F4N6 — CID 57401563

IUPAC8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrimidine
SMILESFc1ccccc1Cc1nc(-c2n[nH]c(C(F)(F)F)n2)n2cccnc12
InChIInChI=1S/C16H10F4N6/c17-10-5-2-1-4-9(10)8-11-13-21-6-3-7-26(13)14(22-11)12-23-15(25-24-12)16(18,19)20/h1-7H,8H2,(H,23,24,25)
InChIKeyHXEWHZWWLLEJLT-UHFFFAOYSA-N
MW362.29 g/mol
LogP3.26
Rot. Bonds3

About 8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrimidine

8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrimidine (PubChem CID 57401563) has the molecular formula C16H10F4N6 and a molecular weight of 362.29 g/mol. Its IUPAC name is 8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrimidine.

Molecular Properties

Compound Name8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrimidine
PubChem CID57401563
Molecular FormulaC16H10F4N6
Molecular Weight362.29 g/mol
Exact Mass362.09
IUPAC Name8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrimidine
SMILESFc1ccccc1Cc1nc(-c2n[nH]c(C(F)(F)F)n2)n2cccnc12
InChIInChI=1S/C16H10F4N6/c17-10-5-2-1-4-9(10)8-11-13-21-6-3-7-26(13)14(22-11)12-23-15(25-24-12)16(18,19)20/h1-7H,8H2,(H,23,24,25)
InChIKeyHXEWHZWWLLEJLT-UHFFFAOYSA-N
XLogP3.26
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrimidine?
The IUPAC name of 8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrimidine (CID 57401563) is 8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrimidine.
What is the SMILES notation for 8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrimidine?
The canonical SMILES for 8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrimidine is Fc1ccccc1Cc1nc(-c2n[nH]c(C(F)(F)F)n2)n2cccnc12.
What is the InChIKey of 8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrimidine?
The InChIKey is HXEWHZWWLLEJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N6/c17-10-5-2-1-4-9(10)8-11-13-21-6-3-7-26(13)14(22-11)12-23-15(25-24-12)16(18,19)20/h1-7H,8H2,(H,23,24,25).
What are the key properties of 8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrimidine?
8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrimidine has a molecular weight of 362.29 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrimidine is sourced from PubChem (CID 57401563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).