3-(butylamino)-2,5-dihydropyrazin-2-ol

C8H15N3O — CID 57170433

IUPAC3-(butylamino)-2,5-dihydropyrazin-2-ol
SMILESCCCCNC1=NCC=NC1O
InChIInChI=1S/C8H15N3O/c1-2-3-4-9-7-8(12)11-6-5-10-7/h6,8,12H,2-5H2,1H3,(H,9,10)
InChIKeyZADJAVFLKUNHTK-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.18
Rot. Bonds3

About 3-(butylamino)-2,5-dihydropyrazin-2-ol

3-(butylamino)-2,5-dihydropyrazin-2-ol (PubChem CID 57170433) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-(butylamino)-2,5-dihydropyrazin-2-ol.

Molecular Properties

Compound Name3-(butylamino)-2,5-dihydropyrazin-2-ol
PubChem CID57170433
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-(butylamino)-2,5-dihydropyrazin-2-ol
SMILESCCCCNC1=NCC=NC1O
InChIInChI=1S/C8H15N3O/c1-2-3-4-9-7-8(12)11-6-5-10-7/h6,8,12H,2-5H2,1H3,(H,9,10)
InChIKeyZADJAVFLKUNHTK-UHFFFAOYSA-N
XLogP0.18
TPSA56.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.18
H-Bond Donors ≤ 52
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 3-(butylamino)-2,5-dihydropyrazin-2-ol?
The IUPAC name of 3-(butylamino)-2,5-dihydropyrazin-2-ol (CID 57170433) is 3-(butylamino)-2,5-dihydropyrazin-2-ol.
What is the SMILES notation for 3-(butylamino)-2,5-dihydropyrazin-2-ol?
The canonical SMILES for 3-(butylamino)-2,5-dihydropyrazin-2-ol is CCCCNC1=NCC=NC1O.
What is the InChIKey of 3-(butylamino)-2,5-dihydropyrazin-2-ol?
The InChIKey is ZADJAVFLKUNHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-3-4-9-7-8(12)11-6-5-10-7/h6,8,12H,2-5H2,1H3,(H,9,10).
What are the key properties of 3-(butylamino)-2,5-dihydropyrazin-2-ol?
3-(butylamino)-2,5-dihydropyrazin-2-ol has a molecular weight of 169.23 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylamino)-2,5-dihydropyrazin-2-ol is sourced from PubChem (CID 57170433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).