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

C7H9F3N4O — CID 136837744

IUPAC[7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol
SMILESOCc1nc2n(n1)C(C(F)(F)F)CCN2
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)4-1-2-11-6-12-5(3-15)13-14(4)6/h4,15H,1-3H2,(H,11,12,13)
InChIKeyHHHXDHGSSOBTTR-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.69
Rot. Bonds1

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

[7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol (PubChem CID 136837744) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is [7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol
PubChem CID136837744
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name[7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol
SMILESOCc1nc2n(n1)C(C(F)(F)F)CCN2
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)4-1-2-11-6-12-5(3-15)13-14(4)6/h4,15H,1-3H2,(H,11,12,13)
InChIKeyHHHXDHGSSOBTTR-UHFFFAOYSA-N
XLogP0.69
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol?
The IUPAC name of [7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol (CID 136837744) is [7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol.
What is the SMILES notation for [7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol?
The canonical SMILES for [7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol is OCc1nc2n(n1)C(C(F)(F)F)CCN2.
What is the InChIKey of [7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol?
The InChIKey is HHHXDHGSSOBTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c8-7(9,10)4-1-2-11-6-12-5(3-15)13-14(4)6/h4,15H,1-3H2,(H,11,12,13).
What are the key properties of [7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol?
[7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol has a molecular weight of 222.17 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol is sourced from PubChem (CID 136837744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).