4-pent-4-enoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C15H25N5O — CID 80870732

IUPAC4-pent-4-enoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESC=CCCCOc1nc(NCCC)nc(N2CCCC2)n1
InChIInChI=1S/C15H25N5O/c1-3-5-8-12-21-15-18-13(16-9-4-2)17-14(19-15)20-10-6-7-11-20/h3H,1,4-12H2,2H3,(H,16,17,18,19)
InChIKeyNPIYIMUUWIXHEO-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.64
Rot. Bonds9

About 4-pent-4-enoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-pent-4-enoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80870732) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-pent-4-enoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-pent-4-enoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80870732
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name4-pent-4-enoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESC=CCCCOc1nc(NCCC)nc(N2CCCC2)n1
InChIInChI=1S/C15H25N5O/c1-3-5-8-12-21-15-18-13(16-9-4-2)17-14(19-15)20-10-6-7-11-20/h3H,1,4-12H2,2H3,(H,16,17,18,19)
InChIKeyNPIYIMUUWIXHEO-UHFFFAOYSA-N
XLogP2.64
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-pent-4-enoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-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 4-pent-4-enoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-pent-4-enoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80870732) is 4-pent-4-enoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-pent-4-enoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-pent-4-enoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is C=CCCCOc1nc(NCCC)nc(N2CCCC2)n1.
What is the InChIKey of 4-pent-4-enoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is NPIYIMUUWIXHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-3-5-8-12-21-15-18-13(16-9-4-2)17-14(19-15)20-10-6-7-11-20/h3H,1,4-12H2,2H3,(H,16,17,18,19).
What are the key properties of 4-pent-4-enoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-pent-4-enoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 291.40 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pent-4-enoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80870732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).