4,5-dimethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)thiophen-2-amine

C12H12N4S — CID 24694789

IUPAC4,5-dimethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)thiophen-2-amine
SMILESCc1sc(N)c(-c2nnc3ccccn23)c1C
InChIInChI=1S/C12H12N4S/c1-7-8(2)17-11(13)10(7)12-15-14-9-5-3-4-6-16(9)12/h3-6H,13H2,1-2H3
InChIKeyGCHFOLSPZNSGRE-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.66
Rot. Bonds1

About 4,5-dimethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)thiophen-2-amine

4,5-dimethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)thiophen-2-amine (PubChem CID 24694789) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4,5-dimethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)thiophen-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)thiophen-2-amine
PubChem CID24694789
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name4,5-dimethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)thiophen-2-amine
SMILESCc1sc(N)c(-c2nnc3ccccn23)c1C
InChIInChI=1S/C12H12N4S/c1-7-8(2)17-11(13)10(7)12-15-14-9-5-3-4-6-16(9)12/h3-6H,13H2,1-2H3
InChIKeyGCHFOLSPZNSGRE-UHFFFAOYSA-N
XLogP2.66
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 43145465
3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 63724464
ethane;3-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 91210925
5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-3-amine
CID 63154670
4,5-difluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 62865900
3-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 61398971
2,4-difluoro-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 54924253
4-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 24697491
3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 149496307
4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile
CID 83394379
3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol
CID 71308104
(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
CID 51880743

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)thiophen-2-amine?
The IUPAC name of 4,5-dimethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)thiophen-2-amine (CID 24694789) is 4,5-dimethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)thiophen-2-amine.
What is the SMILES notation for 4,5-dimethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)thiophen-2-amine?
The canonical SMILES for 4,5-dimethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)thiophen-2-amine is Cc1sc(N)c(-c2nnc3ccccn23)c1C.
What is the InChIKey of 4,5-dimethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)thiophen-2-amine?
The InChIKey is GCHFOLSPZNSGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-7-8(2)17-11(13)10(7)12-15-14-9-5-3-4-6-16(9)12/h3-6H,13H2,1-2H3.
What are the key properties of 4,5-dimethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)thiophen-2-amine?
4,5-dimethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)thiophen-2-amine has a molecular weight of 244.32 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)thiophen-2-amine is sourced from PubChem (CID 24694789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).