N-(4-methylsulfanylbutyl)tetrazolo[1,5-a]pyrazin-5-amine

C9H14N6S — CID 115637457

IUPACN-(4-methylsulfanylbutyl)tetrazolo[1,5-a]pyrazin-5-amine
SMILESCSCCCCNc1cncc2nnnn12
InChIInChI=1S/C9H14N6S/c1-16-5-3-2-4-11-8-6-10-7-9-12-13-14-15(8)9/h6-7,11H,2-5H2,1H3
InChIKeyQLEKWGXUMBZZAC-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.07
Rot. Bonds6

About N-(4-methylsulfanylbutyl)tetrazolo[1,5-a]pyrazin-5-amine

N-(4-methylsulfanylbutyl)tetrazolo[1,5-a]pyrazin-5-amine (PubChem CID 115637457) has the molecular formula C9H14N6S and a molecular weight of 238.32 g/mol. Its IUPAC name is N-(4-methylsulfanylbutyl)tetrazolo[1,5-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylbutyl)tetrazolo[1,5-a]pyrazin-5-amine
PubChem CID115637457
Molecular FormulaC9H14N6S
Molecular Weight238.32 g/mol
Exact Mass238.10
IUPAC NameN-(4-methylsulfanylbutyl)tetrazolo[1,5-a]pyrazin-5-amine
SMILESCSCCCCNc1cncc2nnnn12
InChIInChI=1S/C9H14N6S/c1-16-5-3-2-4-11-8-6-10-7-9-12-13-14-15(8)9/h6-7,11H,2-5H2,1H3
InChIKeyQLEKWGXUMBZZAC-UHFFFAOYSA-N
XLogP1.07
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(4-methylsulfanylbutyl)tetrazolo[1,5-a]pyrazin-5-amine?
The IUPAC name of N-(4-methylsulfanylbutyl)tetrazolo[1,5-a]pyrazin-5-amine (CID 115637457) is N-(4-methylsulfanylbutyl)tetrazolo[1,5-a]pyrazin-5-amine.
What is the SMILES notation for N-(4-methylsulfanylbutyl)tetrazolo[1,5-a]pyrazin-5-amine?
The canonical SMILES for N-(4-methylsulfanylbutyl)tetrazolo[1,5-a]pyrazin-5-amine is CSCCCCNc1cncc2nnnn12.
What is the InChIKey of N-(4-methylsulfanylbutyl)tetrazolo[1,5-a]pyrazin-5-amine?
The InChIKey is QLEKWGXUMBZZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6S/c1-16-5-3-2-4-11-8-6-10-7-9-12-13-14-15(8)9/h6-7,11H,2-5H2,1H3.
What are the key properties of N-(4-methylsulfanylbutyl)tetrazolo[1,5-a]pyrazin-5-amine?
N-(4-methylsulfanylbutyl)tetrazolo[1,5-a]pyrazin-5-amine has a molecular weight of 238.32 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutyl)tetrazolo[1,5-a]pyrazin-5-amine is sourced from PubChem (CID 115637457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).