7-methyl-N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C12H18N4S — CID 113238897

IUPAC7-methyl-N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCSCCC(C)Nc1cc(C)cc2ncnn12
InChIInChI=1S/C12H18N4S/c1-9-6-11-13-8-14-16(11)12(7-9)15-10(2)4-5-17-3/h6-8,10,15H,4-5H2,1-3H3
InChIKeyBBAUDBZRYBUNAT-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.59
Rot. Bonds5

About 7-methyl-N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine

7-methyl-N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 113238897) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 7-methyl-N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name7-methyl-N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID113238897
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name7-methyl-N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCSCCC(C)Nc1cc(C)cc2ncnn12
InChIInChI=1S/C12H18N4S/c1-9-6-11-13-8-14-16(11)12(7-9)15-10(2)4-5-17-3/h6-8,10,15H,4-5H2,1-3H3
InChIKeyBBAUDBZRYBUNAT-UHFFFAOYSA-N
XLogP2.59
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 7-methyl-N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 113238897) is 7-methyl-N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 7-methyl-N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 7-methyl-N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine is CSCCC(C)Nc1cc(C)cc2ncnn12.
What is the InChIKey of 7-methyl-N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is BBAUDBZRYBUNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-9-6-11-13-8-14-16(11)12(7-9)15-10(2)4-5-17-3/h6-8,10,15H,4-5H2,1-3H3.
What are the key properties of 7-methyl-N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
7-methyl-N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 250.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(4-methylsulfanylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 113238897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).