4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole

C16H19N7S — CID 71932615

IUPAC4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole
SMILESCn1cc(-c2nc(CN3CCn4c(nnc4C4CC4)C3)cs2)cn1
InChIInChI=1S/C16H19N7S/c1-21-7-12(6-17-21)16-18-13(10-24-16)8-22-4-5-23-14(9-22)19-20-15(23)11-2-3-11/h6-7,10-11H,2-5,8-9H2,1H3
InChIKeyZXYSDCDDHWHVRI-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.03
Rot. Bonds4

About 4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole

4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole (PubChem CID 71932615) has the molecular formula C16H19N7S and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole
PubChem CID71932615
Molecular FormulaC16H19N7S
Molecular Weight341.44 g/mol
Exact Mass341.14
IUPAC Name4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole
SMILESCn1cc(-c2nc(CN3CCn4c(nnc4C4CC4)C3)cs2)cn1
InChIInChI=1S/C16H19N7S/c1-21-7-12(6-17-21)16-18-13(10-24-16)8-22-4-5-23-14(9-22)19-20-15(23)11-2-3-11/h6-7,10-11H,2-5,8-9H2,1H3
InChIKeyZXYSDCDDHWHVRI-UHFFFAOYSA-N
XLogP2.03
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole?
The IUPAC name of 4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole (CID 71932615) is 4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole?
The canonical SMILES for 4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole is Cn1cc(-c2nc(CN3CCn4c(nnc4C4CC4)C3)cs2)cn1.
What is the InChIKey of 4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole?
The InChIKey is ZXYSDCDDHWHVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7S/c1-21-7-12(6-17-21)16-18-13(10-24-16)8-22-4-5-23-14(9-22)19-20-15(23)11-2-3-11/h6-7,10-11H,2-5,8-9H2,1H3.
What are the key properties of 4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole?
4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole has a molecular weight of 341.44 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 71932615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).