3-amino-3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol

C10H15F3N4O — CID 81250981

IUPAC3-amino-3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol
SMILESNC(CCO)c1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C10H15F3N4O/c11-10(12,13)6-1-2-8-15-16-9(17(8)5-6)7(14)3-4-18/h6-7,18H,1-5,14H2
InChIKeyIVHFSRDMPFEVAP-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.79
Rot. Bonds3

About 3-amino-3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol

3-amino-3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol (PubChem CID 81250981) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 3-amino-3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol
PubChem CID81250981
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name3-amino-3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol
SMILESNC(CCO)c1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C10H15F3N4O/c11-10(12,13)6-1-2-8-15-16-9(17(8)5-6)7(14)3-4-18/h6-7,18H,1-5,14H2
InChIKeyIVHFSRDMPFEVAP-UHFFFAOYSA-N
XLogP0.79
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol?
The IUPAC name of 3-amino-3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol (CID 81250981) is 3-amino-3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol.
What is the SMILES notation for 3-amino-3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol?
The canonical SMILES for 3-amino-3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol is NC(CCO)c1nnc2n1CC(C(F)(F)F)CC2.
What is the InChIKey of 3-amino-3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol?
The InChIKey is IVHFSRDMPFEVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c11-10(12,13)6-1-2-8-15-16-9(17(8)5-6)7(14)3-4-18/h6-7,18H,1-5,14H2.
What are the key properties of 3-amino-3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol?
3-amino-3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol has a molecular weight of 264.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol is sourced from PubChem (CID 81250981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).