[1-(difluoromethyl)imidazol-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

C12H10F2N6O2 — CID 17447195

IUPAC[1-(difluoromethyl)imidazol-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCc1ccnc2nc(C(=O)OCc3nccn3C(F)F)nn12
InChIInChI=1S/C12H10F2N6O2/c1-7-2-3-16-12-17-9(18-20(7)12)10(21)22-6-8-15-4-5-19(8)11(13)14/h2-5,11H,6H2,1H3
InChIKeySTRXMMCYYCOVND-UHFFFAOYSA-N
MW308.25 g/mol
LogP1.38
Rot. Bonds4

About [1-(difluoromethyl)imidazol-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

[1-(difluoromethyl)imidazol-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 17447195) has the molecular formula C12H10F2N6O2 and a molecular weight of 308.25 g/mol. Its IUPAC name is [1-(difluoromethyl)imidazol-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Name[1-(difluoromethyl)imidazol-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID17447195
Molecular FormulaC12H10F2N6O2
Molecular Weight308.25 g/mol
Exact Mass308.08
IUPAC Name[1-(difluoromethyl)imidazol-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCc1ccnc2nc(C(=O)OCc3nccn3C(F)F)nn12
InChIInChI=1S/C12H10F2N6O2/c1-7-2-3-16-12-17-9(18-20(7)12)10(21)22-6-8-15-4-5-19(8)11(13)14/h2-5,11H,6H2,1H3
InChIKeySTRXMMCYYCOVND-UHFFFAOYSA-N
XLogP1.38
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)imidazol-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of [1-(difluoromethyl)imidazol-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (CID 17447195) is [1-(difluoromethyl)imidazol-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for [1-(difluoromethyl)imidazol-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for [1-(difluoromethyl)imidazol-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is Cc1ccnc2nc(C(=O)OCc3nccn3C(F)F)nn12.
What is the InChIKey of [1-(difluoromethyl)imidazol-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is STRXMMCYYCOVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N6O2/c1-7-2-3-16-12-17-9(18-20(7)12)10(21)22-6-8-15-4-5-19(8)11(13)14/h2-5,11H,6H2,1H3.
What are the key properties of [1-(difluoromethyl)imidazol-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
[1-(difluoromethyl)imidazol-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 308.25 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)imidazol-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 17447195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).