N-ethyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C12H19N5O — CID 80868376

IUPACN-ethyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(NCC)nc(N2CCCC2)n1
InChIInChI=1S/C12H19N5O/c1-3-9-18-12-15-10(13-4-2)14-11(16-12)17-7-5-6-8-17/h3H,1,4-9H2,2H3,(H,13,14,15,16)
InChIKeyWDQPKNWAJMHTDP-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.47
Rot. Bonds6

About N-ethyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

N-ethyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80868376) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-ethyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80868376
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-ethyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(NCC)nc(N2CCCC2)n1
InChIInChI=1S/C12H19N5O/c1-3-9-18-12-15-10(13-4-2)14-11(16-12)17-7-5-6-8-17/h3H,1,4-9H2,2H3,(H,13,14,15,16)
InChIKeyWDQPKNWAJMHTDP-UHFFFAOYSA-N
XLogP1.47
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80868376) is N-ethyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is C=CCOc1nc(NCC)nc(N2CCCC2)n1.
What is the InChIKey of N-ethyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is WDQPKNWAJMHTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-9-18-12-15-10(13-4-2)14-11(16-12)17-7-5-6-8-17/h3H,1,4-9H2,2H3,(H,13,14,15,16).
What are the key properties of N-ethyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-ethyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 249.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80868376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).