7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C6H8F2N4 — CID 136709377

IUPAC7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)C1CCNc2ncnn21
InChIInChI=1S/C6H8F2N4/c7-5(8)4-1-2-9-6-10-3-11-12(4)6/h3-5H,1-2H2,(H,9,10,11)
InChIKeyMJYMGVTUVXZAKM-UHFFFAOYSA-N
MW174.15 g/mol
LogP0.90
Rot. Bonds1

About 7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136709377) has the molecular formula C6H8F2N4 and a molecular weight of 174.15 g/mol. Its IUPAC name is 7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136709377
Molecular FormulaC6H8F2N4
Molecular Weight174.15 g/mol
Exact Mass174.07
IUPAC Name7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)C1CCNc2ncnn21
InChIInChI=1S/C6H8F2N4/c7-5(8)4-1-2-9-6-10-3-11-12(4)6/h3-5H,1-2H2,(H,9,10,11)
InChIKeyMJYMGVTUVXZAKM-UHFFFAOYSA-N
XLogP0.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136709377) is 7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)C1CCNc2ncnn21.
What is the InChIKey of 7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is MJYMGVTUVXZAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4/c7-5(8)4-1-2-9-6-10-3-11-12(4)6/h3-5H,1-2H2,(H,9,10,11).
What are the key properties of 7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 174.15 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136709377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).