7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

C20H23F6N5O5 — CID 118746124

IUPAC7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cncc(COCc2nnc3n2CCN(CC2CC2)C3)c1
InChIInChI=1S/C16H21N5O.2C2HF3O2/c1-2-14(8-17-5-1)11-22-12-16-19-18-15-10-20(6-7-21(15)16)9-13-3-4-13;2*3-2(4,5)1(6)7/h1-2,5,8,13H,3-4,6-7,9-12H2;2*(H,6,7)
InChIKeyWMSIENQGRGQUOG-UHFFFAOYSA-N
MW527.42 g/mol
LogP2.88
Rot. Bonds6

About 7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746124) has the molecular formula C20H23F6N5O5 and a molecular weight of 527.42 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID118746124
Molecular FormulaC20H23F6N5O5
Molecular Weight527.42 g/mol
Exact Mass527.16
IUPAC Name7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cncc(COCc2nnc3n2CCN(CC2CC2)C3)c1
InChIInChI=1S/C16H21N5O.2C2HF3O2/c1-2-14(8-17-5-1)11-22-12-16-19-18-15-10-20(6-7-21(15)16)9-13-3-4-13;2*3-2(4,5)1(6)7/h1-2,5,8,13H,3-4,6-7,9-12H2;2*(H,6,7)
InChIKeyWMSIENQGRGQUOG-UHFFFAOYSA-N
XLogP2.88
TPSA130.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (CID 118746124) is 7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cncc(COCc2nnc3n2CCN(CC2CC2)C3)c1.
What is the InChIKey of 7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is WMSIENQGRGQUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.2C2HF3O2/c1-2-14(8-17-5-1)11-22-12-16-19-18-15-10-20(6-7-21(15)16)9-13-3-4-13;2*3-2(4,5)1(6)7/h1-2,5,8,13H,3-4,6-7,9-12H2;2*(H,6,7).
What are the key properties of 7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 527.42 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).