5-butyl-3-N-ethylphosphanyl-3-N-propylpyrazine-2,3-diamine

C13H25N4P — CID 168975288

IUPAC5-butyl-3-N-ethylphosphanyl-3-N-propylpyrazine-2,3-diamine
SMILESCCCCc1cnc(N)c(N(CCC)PCC)n1
InChIInChI=1S/C13H25N4P/c1-4-7-8-11-10-15-12(14)13(16-11)17(9-5-2)18-6-3/h10,18H,4-9H2,1-3H3,(H2,14,15)
InChIKeyDFVNMMNKBWZXNZ-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.23
Rot. Bonds8

About 5-butyl-3-N-ethylphosphanyl-3-N-propylpyrazine-2,3-diamine

5-butyl-3-N-ethylphosphanyl-3-N-propylpyrazine-2,3-diamine (PubChem CID 168975288) has the molecular formula C13H25N4P and a molecular weight of 268.34 g/mol. Its IUPAC name is 5-butyl-3-N-ethylphosphanyl-3-N-propylpyrazine-2,3-diamine.

Molecular Properties

Compound Name5-butyl-3-N-ethylphosphanyl-3-N-propylpyrazine-2,3-diamine
PubChem CID168975288
Molecular FormulaC13H25N4P
Molecular Weight268.34 g/mol
Exact Mass268.18
IUPAC Name5-butyl-3-N-ethylphosphanyl-3-N-propylpyrazine-2,3-diamine
SMILESCCCCc1cnc(N)c(N(CCC)PCC)n1
InChIInChI=1S/C13H25N4P/c1-4-7-8-11-10-15-12(14)13(16-11)17(9-5-2)18-6-3/h10,18H,4-9H2,1-3H3,(H2,14,15)
InChIKeyDFVNMMNKBWZXNZ-UHFFFAOYSA-N
XLogP3.23
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-butyl-3-N-ethylphosphanyl-3-N-propylpyrazine-2,3-diamine 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-butyl-3-N-ethylphosphanyl-3-N-propylpyrazine-2,3-diamine?
The IUPAC name of 5-butyl-3-N-ethylphosphanyl-3-N-propylpyrazine-2,3-diamine (CID 168975288) is 5-butyl-3-N-ethylphosphanyl-3-N-propylpyrazine-2,3-diamine.
What is the SMILES notation for 5-butyl-3-N-ethylphosphanyl-3-N-propylpyrazine-2,3-diamine?
The canonical SMILES for 5-butyl-3-N-ethylphosphanyl-3-N-propylpyrazine-2,3-diamine is CCCCc1cnc(N)c(N(CCC)PCC)n1.
What is the InChIKey of 5-butyl-3-N-ethylphosphanyl-3-N-propylpyrazine-2,3-diamine?
The InChIKey is DFVNMMNKBWZXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N4P/c1-4-7-8-11-10-15-12(14)13(16-11)17(9-5-2)18-6-3/h10,18H,4-9H2,1-3H3,(H2,14,15).
What are the key properties of 5-butyl-3-N-ethylphosphanyl-3-N-propylpyrazine-2,3-diamine?
5-butyl-3-N-ethylphosphanyl-3-N-propylpyrazine-2,3-diamine has a molecular weight of 268.34 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-N-ethylphosphanyl-3-N-propylpyrazine-2,3-diamine is sourced from PubChem (CID 168975288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).