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

C7H10F2N4O — CID 136837707

IUPAC[7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol
SMILESOCc1nc2n(n1)C(C(F)F)CCN2
InChIInChI=1S/C7H10F2N4O/c8-6(9)4-1-2-10-7-11-5(3-14)12-13(4)7/h4,6,14H,1-3H2,(H,10,11,12)
InChIKeyJJSSPGCJJJQCNL-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.39
Rot. Bonds2

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

[7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol (PubChem CID 136837707) has the molecular formula C7H10F2N4O and a molecular weight of 204.18 g/mol. Its IUPAC name is [7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol
PubChem CID136837707
Molecular FormulaC7H10F2N4O
Molecular Weight204.18 g/mol
Exact Mass204.08
IUPAC Name[7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol
SMILESOCc1nc2n(n1)C(C(F)F)CCN2
InChIInChI=1S/C7H10F2N4O/c8-6(9)4-1-2-10-7-11-5(3-14)12-13(4)7/h4,6,14H,1-3H2,(H,10,11,12)
InChIKeyJJSSPGCJJJQCNL-UHFFFAOYSA-N
XLogP0.39
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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]pyrimidin-2-yl]methanol?
The IUPAC name of [7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol (CID 136837707) is [7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol.
What is the SMILES notation for [7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol?
The canonical SMILES for [7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol is OCc1nc2n(n1)C(C(F)F)CCN2.
What is the InChIKey of [7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol?
The InChIKey is JJSSPGCJJJQCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O/c8-6(9)4-1-2-10-7-11-5(3-14)12-13(4)7/h4,6,14H,1-3H2,(H,10,11,12).
What are the key properties of [7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol?
[7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol has a molecular weight of 204.18 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 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]pyrimidin-2-yl]methanol is sourced from PubChem (CID 136837707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).