(2S)-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol

C16H26N4O3 — CID 97005247

IUPAC(2S)-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
SMILESO[C@H](COC[C@@H]1CCCO1)CN1CCn2c(nnc2C2CC2)C1
InChIInChI=1S/C16H26N4O3/c21-13(10-22-11-14-2-1-7-23-14)8-19-5-6-20-15(9-19)17-18-16(20)12-3-4-12/h12-14,21H,1-11H2/t13-,14-/m0/s1
InChIKeyDNDMKZOMINWGRH-KBPBESRZSA-N
MW322.41 g/mol
LogP0.53
Rot. Bonds7

About (2S)-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol

(2S)-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol (PubChem CID 97005247) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2S)-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
PubChem CID97005247
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name(2S)-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
SMILESO[C@H](COC[C@@H]1CCCO1)CN1CCn2c(nnc2C2CC2)C1
InChIInChI=1S/C16H26N4O3/c21-13(10-22-11-14-2-1-7-23-14)8-19-5-6-20-15(9-19)17-18-16(20)12-3-4-12/h12-14,21H,1-11H2/t13-,14-/m0/s1
InChIKeyDNDMKZOMINWGRH-KBPBESRZSA-N
XLogP0.53
TPSA72.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol?
The IUPAC name of (2S)-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol (CID 97005247) is (2S)-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol.
What is the SMILES notation for (2S)-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol?
The canonical SMILES for (2S)-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol is O[C@H](COC[C@@H]1CCCO1)CN1CCn2c(nnc2C2CC2)C1.
What is the InChIKey of (2S)-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol?
The InChIKey is DNDMKZOMINWGRH-KBPBESRZSA-N. The full InChI is InChI=1S/C16H26N4O3/c21-13(10-22-11-14-2-1-7-23-14)8-19-5-6-20-15(9-19)17-18-16(20)12-3-4-12/h12-14,21H,1-11H2/t13-,14-/m0/s1.
What are the key properties of (2S)-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol?
(2S)-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol has a molecular weight of 322.41 g/mol, XLogP of 0.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol is sourced from PubChem (CID 97005247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).