2-(4-nitrosobutyl)pyrazine

C8H11N3O — CID 57143742

IUPAC2-(4-nitrosobutyl)pyrazine
SMILESO=NCCCCc1cnccn1
InChIInChI=1S/C8H11N3O/c12-11-4-2-1-3-8-7-9-5-6-10-8/h5-7H,1-4H2
InChIKeyMZOJOSVJZSZXPM-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.57
Rot. Bonds5

About 2-(4-nitrosobutyl)pyrazine

2-(4-nitrosobutyl)pyrazine (PubChem CID 57143742) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-(4-nitrosobutyl)pyrazine.

Molecular Properties

Compound Name2-(4-nitrosobutyl)pyrazine
PubChem CID57143742
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-(4-nitrosobutyl)pyrazine
SMILESO=NCCCCc1cnccn1
InChIInChI=1S/C8H11N3O/c12-11-4-2-1-3-8-7-9-5-6-10-8/h5-7H,1-4H2
InChIKeyMZOJOSVJZSZXPM-UHFFFAOYSA-N
XLogP1.57
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.57
H-Bond Donors ≤ 50
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 2-(4-nitrosobutyl)pyrazine?
The IUPAC name of 2-(4-nitrosobutyl)pyrazine (CID 57143742) is 2-(4-nitrosobutyl)pyrazine.
What is the SMILES notation for 2-(4-nitrosobutyl)pyrazine?
The canonical SMILES for 2-(4-nitrosobutyl)pyrazine is O=NCCCCc1cnccn1.
What is the InChIKey of 2-(4-nitrosobutyl)pyrazine?
The InChIKey is MZOJOSVJZSZXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c12-11-4-2-1-3-8-7-9-5-6-10-8/h5-7H,1-4H2.
What are the key properties of 2-(4-nitrosobutyl)pyrazine?
2-(4-nitrosobutyl)pyrazine has a molecular weight of 165.20 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrosobutyl)pyrazine is sourced from PubChem (CID 57143742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).