N-(5-methylsulfanylpentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C11H17N5S — CID 104925632

IUPACN-(5-methylsulfanylpentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCSCCCCCNc1nccn2cnnc12
InChIInChI=1S/C11H17N5S/c1-17-8-4-2-3-5-12-10-11-15-14-9-16(11)7-6-13-10/h6-7,9H,2-5,8H2,1H3,(H,12,13)
InChIKeyYQUBOQLLOUDKEX-UHFFFAOYSA-N
MW251.36 g/mol
LogP2.07
Rot. Bonds7

About N-(5-methylsulfanylpentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-(5-methylsulfanylpentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 104925632) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is N-(5-methylsulfanylpentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(5-methylsulfanylpentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID104925632
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC NameN-(5-methylsulfanylpentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCSCCCCCNc1nccn2cnnc12
InChIInChI=1S/C11H17N5S/c1-17-8-4-2-3-5-12-10-11-15-14-9-16(11)7-6-13-10/h6-7,9H,2-5,8H2,1H3,(H,12,13)
InChIKeyYQUBOQLLOUDKEX-UHFFFAOYSA-N
XLogP2.07
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfanylpentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-(5-methylsulfanylpentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 104925632) is N-(5-methylsulfanylpentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-(5-methylsulfanylpentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-(5-methylsulfanylpentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CSCCCCCNc1nccn2cnnc12.
What is the InChIKey of N-(5-methylsulfanylpentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is YQUBOQLLOUDKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-17-8-4-2-3-5-12-10-11-15-14-9-16(11)7-6-13-10/h6-7,9H,2-5,8H2,1H3,(H,12,13).
What are the key properties of N-(5-methylsulfanylpentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-(5-methylsulfanylpentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 251.36 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanylpentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 104925632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).