7-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine

C18H17N5S — CID 44546755

IUPAC7-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccn2nc(SCc3nc(-c4ccccc4)cn3C)nc2c1
InChIInChI=1S/C18H17N5S/c1-13-8-9-23-16(10-13)20-18(21-23)24-12-17-19-15(11-22(17)2)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyMJPRUIBPDSAIJK-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.73
Rot. Bonds4

About 7-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine

7-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 44546755) has the molecular formula C18H17N5S and a molecular weight of 335.44 g/mol. Its IUPAC name is 7-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID44546755
Molecular FormulaC18H17N5S
Molecular Weight335.44 g/mol
Exact Mass335.12
IUPAC Name7-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccn2nc(SCc3nc(-c4ccccc4)cn3C)nc2c1
InChIInChI=1S/C18H17N5S/c1-13-8-9-23-16(10-13)20-18(21-23)24-12-17-19-15(11-22(17)2)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyMJPRUIBPDSAIJK-UHFFFAOYSA-N
XLogP3.73
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 44546755) is 7-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccn2nc(SCc3nc(-c4ccccc4)cn3C)nc2c1.
What is the InChIKey of 7-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is MJPRUIBPDSAIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5S/c1-13-8-9-23-16(10-13)20-18(21-23)24-12-17-19-15(11-22(17)2)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of 7-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine?
7-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 335.44 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 44546755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).