N-(3-methylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C11H15N5S — CID 113245595

IUPACN-(3-methylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCSC1CCC(Nc2nccn3cnnc23)C1
InChIInChI=1S/C11H15N5S/c1-17-9-3-2-8(6-9)14-10-11-15-13-7-16(11)5-4-12-10/h4-5,7-9H,2-3,6H2,1H3,(H,12,14)
InChIKeyGCEFLURUBITONK-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.82
Rot. Bonds3

About N-(3-methylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-(3-methylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 113245595) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(3-methylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID113245595
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC NameN-(3-methylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCSC1CCC(Nc2nccn3cnnc23)C1
InChIInChI=1S/C11H15N5S/c1-17-9-3-2-8(6-9)14-10-11-15-13-7-16(11)5-4-12-10/h4-5,7-9H,2-3,6H2,1H3,(H,12,14)
InChIKeyGCEFLURUBITONK-UHFFFAOYSA-N
XLogP1.82
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113245596
N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 167982444
6-bromo-N-(3-methylsulfanylcyclopentyl)imidazo[1,2-a]pyrazin-8-amine
CID 114123820
N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 115563757
N-(3-methoxy-2,2-dimethylcyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113253017
N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 107269051
N-[1-(2-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 75374730
N-[(3S)-1-(2-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 97218826
N-[(3-methylcyclohexyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 103710803
1-ethyl-3-[(3-methylsulfanylcyclohexyl)amino]pyrazin-2-one
CID 113349521
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 100630745
5-methyl-1-phenyl-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one
CID 84585138

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-(3-methylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 113245595) is N-(3-methylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-(3-methylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-(3-methylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CSC1CCC(Nc2nccn3cnnc23)C1.
What is the InChIKey of N-(3-methylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is GCEFLURUBITONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-17-9-3-2-8(6-9)14-10-11-15-13-7-16(11)5-4-12-10/h4-5,7-9H,2-3,6H2,1H3,(H,12,14).
What are the key properties of N-(3-methylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-(3-methylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 249.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 113245595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).