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

C12H12F3N5O — CID 64577847

IUPAC[6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]methanol
SMILESOCc1ccc(N2CCn3c(nnc3C(F)(F)F)C2)nc1
InChIInChI=1S/C12H12F3N5O/c13-12(14,15)11-18-17-10-6-19(3-4-20(10)11)9-2-1-8(7-21)5-16-9/h1-2,5,21H,3-4,6-7H2
InChIKeyMMWPMKRENVWQGP-UHFFFAOYSA-N
MW299.26 g/mol
LogP1.20
Rot. Bonds2

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

[6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]methanol (PubChem CID 64577847) has the molecular formula C12H12F3N5O and a molecular weight of 299.26 g/mol. Its IUPAC name is [6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]methanol
PubChem CID64577847
Molecular FormulaC12H12F3N5O
Molecular Weight299.26 g/mol
Exact Mass299.10
IUPAC Name[6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]methanol
SMILESOCc1ccc(N2CCn3c(nnc3C(F)(F)F)C2)nc1
InChIInChI=1S/C12H12F3N5O/c13-12(14,15)11-18-17-10-6-19(3-4-20(10)11)9-2-1-8(7-21)5-16-9/h1-2,5,21H,3-4,6-7H2
InChIKeyMMWPMKRENVWQGP-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 [6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]methanol?
The IUPAC name of [6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]methanol (CID 64577847) is [6-[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 [6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]methanol?
The canonical SMILES for [6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]methanol is OCc1ccc(N2CCn3c(nnc3C(F)(F)F)C2)nc1.
What is the InChIKey of [6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]methanol?
The InChIKey is MMWPMKRENVWQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O/c13-12(14,15)11-18-17-10-6-19(3-4-20(10)11)9-2-1-8(7-21)5-16-9/h1-2,5,21H,3-4,6-7H2.
What are the key properties of [6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]methanol?
[6-[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 [6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 64577847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).