5-(pentylsulfanylmethyl)pyrazin-2-amine

C10H17N3S — CID 107756456

IUPAC5-(pentylsulfanylmethyl)pyrazin-2-amine
SMILESCCCCCSCc1cnc(N)cn1
InChIInChI=1S/C10H17N3S/c1-2-3-4-5-14-8-9-6-13-10(11)7-12-9/h6-7H,2-5,8H2,1H3,(H2,11,13)
InChIKeyNQCLJVZXQFSNHD-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.48
Rot. Bonds6

About 5-(pentylsulfanylmethyl)pyrazin-2-amine

5-(pentylsulfanylmethyl)pyrazin-2-amine (PubChem CID 107756456) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-(pentylsulfanylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(pentylsulfanylmethyl)pyrazin-2-amine
PubChem CID107756456
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name5-(pentylsulfanylmethyl)pyrazin-2-amine
SMILESCCCCCSCc1cnc(N)cn1
InChIInChI=1S/C10H17N3S/c1-2-3-4-5-14-8-9-6-13-10(11)7-12-9/h6-7H,2-5,8H2,1H3,(H2,11,13)
InChIKeyNQCLJVZXQFSNHD-UHFFFAOYSA-N
XLogP2.48
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-(pentylsulfanylmethyl)pyrazin-2-amine?
The IUPAC name of 5-(pentylsulfanylmethyl)pyrazin-2-amine (CID 107756456) is 5-(pentylsulfanylmethyl)pyrazin-2-amine.
What is the SMILES notation for 5-(pentylsulfanylmethyl)pyrazin-2-amine?
The canonical SMILES for 5-(pentylsulfanylmethyl)pyrazin-2-amine is CCCCCSCc1cnc(N)cn1.
What is the InChIKey of 5-(pentylsulfanylmethyl)pyrazin-2-amine?
The InChIKey is NQCLJVZXQFSNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-2-3-4-5-14-8-9-6-13-10(11)7-12-9/h6-7H,2-5,8H2,1H3,(H2,11,13).
What are the key properties of 5-(pentylsulfanylmethyl)pyrazin-2-amine?
5-(pentylsulfanylmethyl)pyrazin-2-amine has a molecular weight of 211.33 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pentylsulfanylmethyl)pyrazin-2-amine is sourced from PubChem (CID 107756456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).