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

C13H20N4S — CID 115744765

IUPACN-(4-ethylsulfanylbutan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCCSCCC(C)Nc1cc(C)cc2ncnn12
InChIInChI=1S/C13H20N4S/c1-4-18-6-5-11(3)16-13-8-10(2)7-12-14-9-15-17(12)13/h7-9,11,16H,4-6H2,1-3H3
InChIKeyIAVZQIUNILIUSF-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.98
Rot. Bonds6

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

N-(4-ethylsulfanylbutan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 115744765) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID115744765
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCCSCCC(C)Nc1cc(C)cc2ncnn12
InChIInChI=1S/C13H20N4S/c1-4-18-6-5-11(3)16-13-8-10(2)7-12-14-9-15-17(12)13/h7-9,11,16H,4-6H2,1-3H3
InChIKeyIAVZQIUNILIUSF-UHFFFAOYSA-N
XLogP2.98
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-Methyl-5-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 155546253
N-(2-phenylethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 5308442
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 53498903
1-methyl-6-pyridin-4-yl-N-(tetrahydro-3-thienyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 70729792
1-(2-pyridin-4-ylethyl)-N-(thian-4-yl)pyrazol-3-amine
CID 71918477
7-Methyl-(1,2,4)triazolo(1,5-a)pyridin-5-amine
CID 43665026
7-(Aminomethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine dihydrochloride
CID 145874697
7-Methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 135151402
N5-isopropyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
CID 25212512
2-N-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
CID 25212770
N5-cyclopropyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
CID 59437445
trans-(1S,3S)-3-N-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopentane-1,3-diamine
CID 176143914

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 115744765) is N-(4-ethylsulfanylbutan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is CCSCCC(C)Nc1cc(C)cc2ncnn12.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is IAVZQIUNILIUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-4-18-6-5-11(3)16-13-8-10(2)7-12-14-9-15-17(12)13/h7-9,11,16H,4-6H2,1-3H3.
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
N-(4-ethylsulfanylbutan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 264.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 115744765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).