(E)-4-(4-but-3-enoxyimidazo[2,1-f][1,2,4]triazin-2-yl)-N-ethylbut-3-en-1-amine

C15H21N5O — CID 163278150

IUPAC(E)-4-(4-but-3-enoxyimidazo[2,1-f][1,2,4]triazin-2-yl)-N-ethylbut-3-en-1-amine
SMILESC=CCCOc1nc(/C=C/CCNCC)nn2ccnc12
InChIInChI=1S/C15H21N5O/c1-3-5-12-21-15-14-17-10-11-20(14)19-13(18-15)8-6-7-9-16-4-2/h3,6,8,10-11,16H,1,4-5,7,9,12H2,2H3/b8-6+
InChIKeyXFYBKWMGJYQDHZ-SOFGYWHQSA-N
MW287.37 g/mol
LogP2.09
Rot. Bonds9

About (E)-4-(4-but-3-enoxyimidazo[2,1-f][1,2,4]triazin-2-yl)-N-ethylbut-3-en-1-amine

(E)-4-(4-but-3-enoxyimidazo[2,1-f][1,2,4]triazin-2-yl)-N-ethylbut-3-en-1-amine (PubChem CID 163278150) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is (E)-4-(4-but-3-enoxyimidazo[2,1-f][1,2,4]triazin-2-yl)-N-ethylbut-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(4-but-3-enoxyimidazo[2,1-f][1,2,4]triazin-2-yl)-N-ethylbut-3-en-1-amine
PubChem CID163278150
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name(E)-4-(4-but-3-enoxyimidazo[2,1-f][1,2,4]triazin-2-yl)-N-ethylbut-3-en-1-amine
SMILESC=CCCOc1nc(/C=C/CCNCC)nn2ccnc12
InChIInChI=1S/C15H21N5O/c1-3-5-12-21-15-14-17-10-11-20(14)19-13(18-15)8-6-7-9-16-4-2/h3,6,8,10-11,16H,1,4-5,7,9,12H2,2H3/b8-6+
InChIKeyXFYBKWMGJYQDHZ-SOFGYWHQSA-N
XLogP2.09
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.09
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 (E)-4-(4-but-3-enoxyimidazo[2,1-f][1,2,4]triazin-2-yl)-N-ethylbut-3-en-1-amine?
The IUPAC name of (E)-4-(4-but-3-enoxyimidazo[2,1-f][1,2,4]triazin-2-yl)-N-ethylbut-3-en-1-amine (CID 163278150) is (E)-4-(4-but-3-enoxyimidazo[2,1-f][1,2,4]triazin-2-yl)-N-ethylbut-3-en-1-amine.
What is the SMILES notation for (E)-4-(4-but-3-enoxyimidazo[2,1-f][1,2,4]triazin-2-yl)-N-ethylbut-3-en-1-amine?
The canonical SMILES for (E)-4-(4-but-3-enoxyimidazo[2,1-f][1,2,4]triazin-2-yl)-N-ethylbut-3-en-1-amine is C=CCCOc1nc(/C=C/CCNCC)nn2ccnc12.
What is the InChIKey of (E)-4-(4-but-3-enoxyimidazo[2,1-f][1,2,4]triazin-2-yl)-N-ethylbut-3-en-1-amine?
The InChIKey is XFYBKWMGJYQDHZ-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-5-12-21-15-14-17-10-11-20(14)19-13(18-15)8-6-7-9-16-4-2/h3,6,8,10-11,16H,1,4-5,7,9,12H2,2H3/b8-6+.
What are the key properties of (E)-4-(4-but-3-enoxyimidazo[2,1-f][1,2,4]triazin-2-yl)-N-ethylbut-3-en-1-amine?
(E)-4-(4-but-3-enoxyimidazo[2,1-f][1,2,4]triazin-2-yl)-N-ethylbut-3-en-1-amine has a molecular weight of 287.37 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-but-3-enoxyimidazo[2,1-f][1,2,4]triazin-2-yl)-N-ethylbut-3-en-1-amine is sourced from PubChem (CID 163278150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).