(3R,5S)-5-[7-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-methylpyrrolidin-3-ol

C19H25N5O2 — CID 110197789

IUPAC(3R,5S)-5-[7-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-methylpyrrolidin-3-ol
SMILESCN1C[C@H](O)C[C@H]1c1nnc2n1CCN(Cc1ccc3c(c1)CCO3)C2
InChIInChI=1S/C19H25N5O2/c1-22-11-15(25)9-16(22)19-21-20-18-12-23(5-6-24(18)19)10-13-2-3-17-14(8-13)4-7-26-17/h2-3,8,15-16,25H,4-7,9-12H2,1H3/t15-,16+/m1/s1
InChIKeyZDPASPAUDVQPMW-CVEARBPZSA-N
MW355.44 g/mol
LogP0.97
Rot. Bonds3

About (3R,5S)-5-[7-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-methylpyrrolidin-3-ol

(3R,5S)-5-[7-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-methylpyrrolidin-3-ol (PubChem CID 110197789) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3R,5S)-5-[7-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-[7-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-methylpyrrolidin-3-ol
PubChem CID110197789
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(3R,5S)-5-[7-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-methylpyrrolidin-3-ol
SMILESCN1C[C@H](O)C[C@H]1c1nnc2n1CCN(Cc1ccc3c(c1)CCO3)C2
InChIInChI=1S/C19H25N5O2/c1-22-11-15(25)9-16(22)19-21-20-18-12-23(5-6-24(18)19)10-13-2-3-17-14(8-13)4-7-26-17/h2-3,8,15-16,25H,4-7,9-12H2,1H3/t15-,16+/m1/s1
InChIKeyZDPASPAUDVQPMW-CVEARBPZSA-N
XLogP0.97
TPSA66.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R,5S)-5-[7-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-methylpyrrolidin-3-ol 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 (3R,5S)-5-[7-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-methylpyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-[7-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-methylpyrrolidin-3-ol (CID 110197789) is (3R,5S)-5-[7-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-methylpyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-[7-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-methylpyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-[7-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-methylpyrrolidin-3-ol is CN1C[C@H](O)C[C@H]1c1nnc2n1CCN(Cc1ccc3c(c1)CCO3)C2.
What is the InChIKey of (3R,5S)-5-[7-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-methylpyrrolidin-3-ol?
The InChIKey is ZDPASPAUDVQPMW-CVEARBPZSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-22-11-15(25)9-16(22)19-21-20-18-12-23(5-6-24(18)19)10-13-2-3-17-14(8-13)4-7-26-17/h2-3,8,15-16,25H,4-7,9-12H2,1H3/t15-,16+/m1/s1.
What are the key properties of (3R,5S)-5-[7-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-methylpyrrolidin-3-ol?
(3R,5S)-5-[7-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-methylpyrrolidin-3-ol has a molecular weight of 355.44 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[7-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 110197789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).