[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone

C16H21N5OS — CID 164698895

IUPAC[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone
SMILESCC(C)C[C@H]1c2nc(C3CC3)nn2CCN1C(=O)c1cscn1
InChIInChI=1S/C16H21N5OS/c1-10(2)7-13-15-18-14(11-3-4-11)19-21(15)6-5-20(13)16(22)12-8-23-9-17-12/h8-11,13H,3-7H2,1-2H3/t13-/m0/s1
InChIKeyWIAHVTGVKBFJGG-ZDUSSCGKSA-N
MW331.45 g/mol
LogP2.86
Rot. Bonds4

About [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone

[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 164698895) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID164698895
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone
SMILESCC(C)C[C@H]1c2nc(C3CC3)nn2CCN1C(=O)c1cscn1
InChIInChI=1S/C16H21N5OS/c1-10(2)7-13-15-18-14(11-3-4-11)19-21(15)6-5-20(13)16(22)12-8-23-9-17-12/h8-11,13H,3-7H2,1-2H3/t13-/m0/s1
InChIKeyWIAHVTGVKBFJGG-ZDUSSCGKSA-N
XLogP2.86
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone (CID 164698895) is [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone is CC(C)C[C@H]1c2nc(C3CC3)nn2CCN1C(=O)c1cscn1.
What is the InChIKey of [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is WIAHVTGVKBFJGG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-10(2)7-13-15-18-14(11-3-4-11)19-21(15)6-5-20(13)16(22)12-8-23-9-17-12/h8-11,13H,3-7H2,1-2H3/t13-/m0/s1.
What are the key properties of [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone?
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 331.45 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 164698895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).