3-[[4-(3,5-dimethylthiophen-2-yl)triazol-1-yl]methyl]pyridine

C14H14N4S — CID 58458853

IUPAC3-[[4-(3,5-dimethylthiophen-2-yl)triazol-1-yl]methyl]pyridine
SMILESCc1cc(C)c(-c2cn(Cc3cccnc3)nn2)s1
InChIInChI=1S/C14H14N4S/c1-10-6-11(2)19-14(10)13-9-18(17-16-13)8-12-4-3-5-15-7-12/h3-7,9H,8H2,1-2H3
InChIKeyGQVUIWXXGWYODC-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.07
Rot. Bonds3

About 3-[[4-(3,5-dimethylthiophen-2-yl)triazol-1-yl]methyl]pyridine

3-[[4-(3,5-dimethylthiophen-2-yl)triazol-1-yl]methyl]pyridine (PubChem CID 58458853) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-[[4-(3,5-dimethylthiophen-2-yl)triazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-(3,5-dimethylthiophen-2-yl)triazol-1-yl]methyl]pyridine
PubChem CID58458853
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name3-[[4-(3,5-dimethylthiophen-2-yl)triazol-1-yl]methyl]pyridine
SMILESCc1cc(C)c(-c2cn(Cc3cccnc3)nn2)s1
InChIInChI=1S/C14H14N4S/c1-10-6-11(2)19-14(10)13-9-18(17-16-13)8-12-4-3-5-15-7-12/h3-7,9H,8H2,1-2H3
InChIKeyGQVUIWXXGWYODC-UHFFFAOYSA-N
XLogP3.07
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3,5-dimethylthiophen-2-yl)triazol-1-yl]methyl]pyridine?
The IUPAC name of 3-[[4-(3,5-dimethylthiophen-2-yl)triazol-1-yl]methyl]pyridine (CID 58458853) is 3-[[4-(3,5-dimethylthiophen-2-yl)triazol-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[4-(3,5-dimethylthiophen-2-yl)triazol-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[4-(3,5-dimethylthiophen-2-yl)triazol-1-yl]methyl]pyridine is Cc1cc(C)c(-c2cn(Cc3cccnc3)nn2)s1.
What is the InChIKey of 3-[[4-(3,5-dimethylthiophen-2-yl)triazol-1-yl]methyl]pyridine?
The InChIKey is GQVUIWXXGWYODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-10-6-11(2)19-14(10)13-9-18(17-16-13)8-12-4-3-5-15-7-12/h3-7,9H,8H2,1-2H3.
What are the key properties of 3-[[4-(3,5-dimethylthiophen-2-yl)triazol-1-yl]methyl]pyridine?
3-[[4-(3,5-dimethylthiophen-2-yl)triazol-1-yl]methyl]pyridine has a molecular weight of 270.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3,5-dimethylthiophen-2-yl)triazol-1-yl]methyl]pyridine is sourced from PubChem (CID 58458853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).