5-(3-butoxyprop-1-en-2-yl)pyrazin-2-amine

C11H17N3O — CID 118054593

IUPAC5-(3-butoxyprop-1-en-2-yl)pyrazin-2-amine
SMILESC=C(COCCCC)c1cnc(N)cn1
InChIInChI=1S/C11H17N3O/c1-3-4-5-15-8-9(2)10-6-14-11(12)7-13-10/h6-7H,2-5,8H2,1H3,(H2,12,14)
InChIKeyCFWARLLXORWDTH-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.89
Rot. Bonds6

About 5-(3-butoxyprop-1-en-2-yl)pyrazin-2-amine

5-(3-butoxyprop-1-en-2-yl)pyrazin-2-amine (PubChem CID 118054593) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-(3-butoxyprop-1-en-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(3-butoxyprop-1-en-2-yl)pyrazin-2-amine
PubChem CID118054593
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-(3-butoxyprop-1-en-2-yl)pyrazin-2-amine
SMILESC=C(COCCCC)c1cnc(N)cn1
InChIInChI=1S/C11H17N3O/c1-3-4-5-15-8-9(2)10-6-14-11(12)7-13-10/h6-7H,2-5,8H2,1H3,(H2,12,14)
InChIKeyCFWARLLXORWDTH-UHFFFAOYSA-N
XLogP1.89
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-butoxyprop-1-en-2-yl)pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-butoxyprop-1-en-2-yl)pyrazin-2-amine?
The IUPAC name of 5-(3-butoxyprop-1-en-2-yl)pyrazin-2-amine (CID 118054593) is 5-(3-butoxyprop-1-en-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(3-butoxyprop-1-en-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-(3-butoxyprop-1-en-2-yl)pyrazin-2-amine is C=C(COCCCC)c1cnc(N)cn1.
What is the InChIKey of 5-(3-butoxyprop-1-en-2-yl)pyrazin-2-amine?
The InChIKey is CFWARLLXORWDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-4-5-15-8-9(2)10-6-14-11(12)7-13-10/h6-7H,2-5,8H2,1H3,(H2,12,14).
What are the key properties of 5-(3-butoxyprop-1-en-2-yl)pyrazin-2-amine?
5-(3-butoxyprop-1-en-2-yl)pyrazin-2-amine has a molecular weight of 207.28 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-butoxyprop-1-en-2-yl)pyrazin-2-amine is sourced from PubChem (CID 118054593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).