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

C12H17N5S — CID 113245596

IUPACN-(3-ethylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCCSC1CCC(Nc2nccn3cnnc23)C1
InChIInChI=1S/C12H17N5S/c1-2-18-10-4-3-9(7-10)15-11-12-16-14-8-17(12)6-5-13-11/h5-6,8-10H,2-4,7H2,1H3,(H,13,15)
InChIKeyOYGXIHGJUGKAIZ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.21
Rot. Bonds4

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

N-(3-ethylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 113245596) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID113245596
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC NameN-(3-ethylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCCSC1CCC(Nc2nccn3cnnc23)C1
InChIInChI=1S/C12H17N5S/c1-2-18-10-4-3-9(7-10)15-11-12-16-14-8-17(12)6-5-13-11/h5-6,8-10H,2-4,7H2,1H3,(H,13,15)
InChIKeyOYGXIHGJUGKAIZ-UHFFFAOYSA-N
XLogP2.21
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113245595
3-[(3-ethylsulfanylcyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 103888844
N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 167982444
N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 115563757
5-chloro-4-N-(3-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine
CID 114124204
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 100630745
N-(3-ethylsulfanylcyclopentyl)-2-methylpyrimidin-4-amine
CID 103704839
N-(3-ethylsulfanylcyclopentyl)-4-methyl-3-nitropyridin-2-amine
CID 103704813
N-(3-methoxy-2,2-dimethylcyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113253017
N-[(3-methylcyclohexyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 103710803
N-(3-ethylsulfanylcyclopentyl)-4-methylphthalazin-1-amine
CID 103704778
5-chloro-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103724876

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 113245596) is N-(3-ethylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CCSC1CCC(Nc2nccn3cnnc23)C1.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is OYGXIHGJUGKAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-2-18-10-4-3-9(7-10)15-11-12-16-14-8-17(12)6-5-13-11/h5-6,8-10H,2-4,7H2,1H3,(H,13,15).
What are the key properties of N-(3-ethylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-(3-ethylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 263.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 113245596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).