4-but-3-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C11H17N5O — CID 80861072

IUPAC4-but-3-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESC=CCCOc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C11H17N5O/c1-2-3-8-17-11-14-9(12)13-10(15-11)16-6-4-5-7-16/h2H,1,3-8H2,(H2,12,13,14,15)
InChIKeyRCKCLZCMTIITMO-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.01
Rot. Bonds5

About 4-but-3-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-but-3-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80861072) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-but-3-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-but-3-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80861072
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name4-but-3-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESC=CCCOc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C11H17N5O/c1-2-3-8-17-11-14-9(12)13-10(15-11)16-6-4-5-7-16/h2H,1,3-8H2,(H2,12,13,14,15)
InChIKeyRCKCLZCMTIITMO-UHFFFAOYSA-N
XLogP1.01
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.01
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-but-3-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80861072) is 4-but-3-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-but-3-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-but-3-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is C=CCCOc1nc(N)nc(N2CCCC2)n1.
What is the InChIKey of 4-but-3-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is RCKCLZCMTIITMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-2-3-8-17-11-14-9(12)13-10(15-11)16-6-4-5-7-16/h2H,1,3-8H2,(H2,12,13,14,15).
What are the key properties of 4-but-3-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-but-3-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 235.29 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80861072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).