5,8-dimethyl-2-[2-(2-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

C17H18N6S — CID 71452031

IUPAC5,8-dimethyl-2-[2-(2-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(C)n2nc(CCc3nc(-c4ccsc4)nn3C)nc12
InChIInChI=1S/C17H18N6S/c1-11-4-5-12(2)23-17(11)18-14(20-23)6-7-15-19-16(21-22(15)3)13-8-9-24-10-13/h4-5,8-10H,6-7H2,1-3H3
InChIKeyMMGMORXYESHAIJ-UHFFFAOYSA-N
MW338.44 g/mol
LogP2.99
Rot. Bonds4

About 5,8-dimethyl-2-[2-(2-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

5,8-dimethyl-2-[2-(2-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 71452031) has the molecular formula C17H18N6S and a molecular weight of 338.44 g/mol. Its IUPAC name is 5,8-dimethyl-2-[2-(2-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5,8-dimethyl-2-[2-(2-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID71452031
Molecular FormulaC17H18N6S
Molecular Weight338.44 g/mol
Exact Mass338.13
IUPAC Name5,8-dimethyl-2-[2-(2-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(C)n2nc(CCc3nc(-c4ccsc4)nn3C)nc12
InChIInChI=1S/C17H18N6S/c1-11-4-5-12(2)23-17(11)18-14(20-23)6-7-15-19-16(21-22(15)3)13-8-9-24-10-13/h4-5,8-10H,6-7H2,1-3H3
InChIKeyMMGMORXYESHAIJ-UHFFFAOYSA-N
XLogP2.99
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-[2-(2-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5,8-dimethyl-2-[2-(2-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 71452031) is 5,8-dimethyl-2-[2-(2-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5,8-dimethyl-2-[2-(2-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5,8-dimethyl-2-[2-(2-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccc(C)n2nc(CCc3nc(-c4ccsc4)nn3C)nc12.
What is the InChIKey of 5,8-dimethyl-2-[2-(2-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is MMGMORXYESHAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6S/c1-11-4-5-12(2)23-17(11)18-14(20-23)6-7-15-19-16(21-22(15)3)13-8-9-24-10-13/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 5,8-dimethyl-2-[2-(2-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
5,8-dimethyl-2-[2-(2-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 338.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-[2-(2-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 71452031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).