5-methyl-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C12H12N4S — CID 82061343

IUPAC5-methyl-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCc1c(N)ccc2nnc(Cc3cccs3)n12
InChIInChI=1S/C12H12N4S/c1-8-10(13)4-5-11-14-15-12(16(8)11)7-9-3-2-6-17-9/h2-6H,7,13H2,1H3
InChIKeyFVFDZTOKRVWVQR-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.27
Rot. Bonds2

About 5-methyl-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

5-methyl-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 82061343) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 5-methyl-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name5-methyl-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID82061343
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name5-methyl-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCc1c(N)ccc2nnc(Cc3cccs3)n12
InChIInChI=1S/C12H12N4S/c1-8-10(13)4-5-11-14-15-12(16(8)11)7-9-3-2-6-17-9/h2-6H,7,13H2,1H3
InChIKeyFVFDZTOKRVWVQR-UHFFFAOYSA-N
XLogP2.27
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82061325
5-methyl-3-propyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82061317
3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138683
1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine
CID 82067986
7-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144497
2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole
CID 131065798
5-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82061327
2-methyl-3-(thiophen-2-ylmethyl)aniline
CID 39240617
4-(4-methylphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione
CID 11460397
2-[[2-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]aniline
CID 82557902
5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 16768121
4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-amine
CID 130483640

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 5-methyl-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 82061343) is 5-methyl-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 5-methyl-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 5-methyl-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is Cc1c(N)ccc2nnc(Cc3cccs3)n12.
What is the InChIKey of 5-methyl-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is FVFDZTOKRVWVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-8-10(13)4-5-11-14-15-12(16(8)11)7-9-3-2-6-17-9/h2-6H,7,13H2,1H3.
What are the key properties of 5-methyl-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
5-methyl-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 244.32 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 82061343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).