4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-3-ol

C10H14F3N5O — CID 64576496

IUPAC4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-3-ol
SMILESOC1CNCC1N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C10H14F3N5O/c11-10(12,13)9-16-15-8-5-17(1-2-18(8)9)6-3-14-4-7(6)19/h6-7,14,19H,1-5H2
InChIKeyMJGFPGJZCLWZFA-UHFFFAOYSA-N
MW277.25 g/mol
LogP-0.55
Rot. Bonds1

About 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-3-ol

4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-3-ol (PubChem CID 64576496) has the molecular formula C10H14F3N5O and a molecular weight of 277.25 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-3-ol
PubChem CID64576496
Molecular FormulaC10H14F3N5O
Molecular Weight277.25 g/mol
Exact Mass277.12
IUPAC Name4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-3-ol
SMILESOC1CNCC1N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C10H14F3N5O/c11-10(12,13)9-16-15-8-5-17(1-2-18(8)9)6-3-14-4-7(6)19/h6-7,14,19H,1-5H2
InChIKeyMJGFPGJZCLWZFA-UHFFFAOYSA-N
XLogP-0.55
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-3-ol?
The IUPAC name of 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-3-ol (CID 64576496) is 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-3-ol?
The canonical SMILES for 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-3-ol is OC1CNCC1N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-3-ol?
The InChIKey is MJGFPGJZCLWZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O/c11-10(12,13)9-16-15-8-5-17(1-2-18(8)9)6-3-14-4-7(6)19/h6-7,14,19H,1-5H2.
What are the key properties of 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-3-ol?
4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-3-ol has a molecular weight of 277.25 g/mol, XLogP of -0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-3-ol is sourced from PubChem (CID 64576496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).