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

C10H15F3N4O — CID 81251124

IUPAC1-amino-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-ol
SMILESCC(O)C(N)c1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C10H15F3N4O/c1-5(18)8(14)9-16-15-7-3-2-6(4-17(7)9)10(11,12)13/h5-6,8,18H,2-4,14H2,1H3
InChIKeyXPCMOEMVOQGGIP-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.78
Rot. Bonds2

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

1-amino-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-ol (PubChem CID 81251124) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 1-amino-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-ol.

Molecular Properties

Compound Name1-amino-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-ol
PubChem CID81251124
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name1-amino-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-ol
SMILESCC(O)C(N)c1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C10H15F3N4O/c1-5(18)8(14)9-16-15-7-3-2-6(4-17(7)9)10(11,12)13/h5-6,8,18H,2-4,14H2,1H3
InChIKeyXPCMOEMVOQGGIP-UHFFFAOYSA-N
XLogP0.78
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-{[5-(trans-3-aminocyclobutyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}piperidin-4-ol
CID 91777892
[2-(Trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-alpha]pyrazin-8-yl](cyclopropyl)methanol hydrochloride
CID 69363534
Cyclopropyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanol
CID 69363535
[3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]methanol
CID 90425593
cis-(1R,3S)-3-[7-methoxy-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine
CID 169842010
1-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
CID 64575903
1-(propan-2-ylamino)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-2-ol
CID 64575904
4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-3-ol
CID 64576496
3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-ol
CID 64579417
2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-3-ol
CID 64579418
4,4-dimethyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-3-ol
CID 64579449
4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-ol
CID 64579605

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-ol?
The IUPAC name of 1-amino-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-ol (CID 81251124) is 1-amino-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-ol.
What is the SMILES notation for 1-amino-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-ol?
The canonical SMILES for 1-amino-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-ol is CC(O)C(N)c1nnc2n1CC(C(F)(F)F)CC2.
What is the InChIKey of 1-amino-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-ol?
The InChIKey is XPCMOEMVOQGGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-5(18)8(14)9-16-15-7-3-2-6(4-17(7)9)10(11,12)13/h5-6,8,18H,2-4,14H2,1H3.
What are the key properties of 1-amino-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-ol?
1-amino-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-ol has a molecular weight of 264.25 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-ol is sourced from PubChem (CID 81251124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).