5-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole

C16H19N7S — CID 134128215

IUPAC5-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCC1=CN=C(C)C2N=C(CCc3nc(-c4cncs4)cn3C)NN12
InChIInChI=1S/C16H19N7S/c1-10-6-18-11(2)16-20-14(21-23(10)16)4-5-15-19-12(8-22(15)3)13-7-17-9-24-13/h6-9,16H,4-5H2,1-3H3,(H,20,21)
InChIKeyCROCNODMEKBRPB-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.36
Rot. Bonds4

About 5-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole

5-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole (PubChem CID 134128215) has the molecular formula C16H19N7S and a molecular weight of 341.44 g/mol. Its IUPAC name is 5-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
PubChem CID134128215
Molecular FormulaC16H19N7S
Molecular Weight341.44 g/mol
Exact Mass341.14
IUPAC Name5-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCC1=CN=C(C)C2N=C(CCc3nc(-c4cncs4)cn3C)NN12
InChIInChI=1S/C16H19N7S/c1-10-6-18-11(2)16-20-14(21-23(10)16)4-5-15-19-12(8-22(15)3)13-7-17-9-24-13/h6-9,16H,4-5H2,1-3H3,(H,20,21)
InChIKeyCROCNODMEKBRPB-UHFFFAOYSA-N
XLogP2.36
TPSA70.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The IUPAC name of 5-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole (CID 134128215) is 5-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 5-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The canonical SMILES for 5-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole is CC1=CN=C(C)C2N=C(CCc3nc(-c4cncs4)cn3C)NN12.
What is the InChIKey of 5-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The InChIKey is CROCNODMEKBRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7S/c1-10-6-18-11(2)16-20-14(21-23(10)16)4-5-15-19-12(8-22(15)3)13-7-17-9-24-13/h6-9,16H,4-5H2,1-3H3,(H,20,21).
What are the key properties of 5-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
5-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole has a molecular weight of 341.44 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 134128215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).