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

C12H12F3N5O — CID 64580753

IUPAC[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]methanol
SMILESOCc1cccnc1N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H12F3N5O/c13-12(14,15)11-18-17-9-6-19(4-5-20(9)11)10-8(7-21)2-1-3-16-10/h1-3,21H,4-7H2
InChIKeyMVWHQQPZJXNYOT-UHFFFAOYSA-N
MW299.26 g/mol
LogP1.20
Rot. Bonds2

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

[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]methanol (PubChem CID 64580753) has the molecular formula C12H12F3N5O and a molecular weight of 299.26 g/mol. Its IUPAC name is [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]methanol
PubChem CID64580753
Molecular FormulaC12H12F3N5O
Molecular Weight299.26 g/mol
Exact Mass299.10
IUPAC Name[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]methanol
SMILESOCc1cccnc1N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H12F3N5O/c13-12(14,15)11-18-17-9-6-19(4-5-20(9)11)10-8(7-21)2-1-3-16-10/h1-3,21H,4-7H2
InChIKeyMVWHQQPZJXNYOT-UHFFFAOYSA-N
XLogP1.20
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]methanol?
The IUPAC name of [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]methanol (CID 64580753) is [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]methanol.
What is the SMILES notation for [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]methanol?
The canonical SMILES for [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]methanol is OCc1cccnc1N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]methanol?
The InChIKey is MVWHQQPZJXNYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O/c13-12(14,15)11-18-17-9-6-19(4-5-20(9)11)10-8(7-21)2-1-3-16-10/h1-3,21H,4-7H2.
What are the key properties of [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]methanol?
[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]methanol has a molecular weight of 299.26 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 64580753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).