1-ethyl-3-[3-(1-prop-1-en-2-yloxyethenyl)pyrido[2,3-b]pyrazin-6-yl]urea

C15H17N5O2 — CID 89036130

IUPAC1-ethyl-3-[3-(1-prop-1-en-2-yloxyethenyl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESC=C(C)OC(=C)c1cnc2ccc(NC(=O)NCC)nc2n1
InChIInChI=1S/C15H17N5O2/c1-5-16-15(21)20-13-7-6-11-14(19-13)18-12(8-17-11)10(4)22-9(2)3/h6-8H,2,4-5H2,1,3H3,(H2,16,18,19,20,21)
InChIKeyHTTXZDVYEQPBEP-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.69
Rot. Bonds5

About 1-ethyl-3-[3-(1-prop-1-en-2-yloxyethenyl)pyrido[2,3-b]pyrazin-6-yl]urea

1-ethyl-3-[3-(1-prop-1-en-2-yloxyethenyl)pyrido[2,3-b]pyrazin-6-yl]urea (PubChem CID 89036130) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-ethyl-3-[3-(1-prop-1-en-2-yloxyethenyl)pyrido[2,3-b]pyrazin-6-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-(1-prop-1-en-2-yloxyethenyl)pyrido[2,3-b]pyrazin-6-yl]urea
PubChem CID89036130
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name1-ethyl-3-[3-(1-prop-1-en-2-yloxyethenyl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESC=C(C)OC(=C)c1cnc2ccc(NC(=O)NCC)nc2n1
InChIInChI=1S/C15H17N5O2/c1-5-16-15(21)20-13-7-6-11-14(19-13)18-12(8-17-11)10(4)22-9(2)3/h6-8H,2,4-5H2,1,3H3,(H2,16,18,19,20,21)
InChIKeyHTTXZDVYEQPBEP-UHFFFAOYSA-N
XLogP2.69
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(1-prop-1-en-2-yloxyethenyl)pyrido[2,3-b]pyrazin-6-yl]urea?
The IUPAC name of 1-ethyl-3-[3-(1-prop-1-en-2-yloxyethenyl)pyrido[2,3-b]pyrazin-6-yl]urea (CID 89036130) is 1-ethyl-3-[3-(1-prop-1-en-2-yloxyethenyl)pyrido[2,3-b]pyrazin-6-yl]urea.
What is the SMILES notation for 1-ethyl-3-[3-(1-prop-1-en-2-yloxyethenyl)pyrido[2,3-b]pyrazin-6-yl]urea?
The canonical SMILES for 1-ethyl-3-[3-(1-prop-1-en-2-yloxyethenyl)pyrido[2,3-b]pyrazin-6-yl]urea is C=C(C)OC(=C)c1cnc2ccc(NC(=O)NCC)nc2n1.
What is the InChIKey of 1-ethyl-3-[3-(1-prop-1-en-2-yloxyethenyl)pyrido[2,3-b]pyrazin-6-yl]urea?
The InChIKey is HTTXZDVYEQPBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-5-16-15(21)20-13-7-6-11-14(19-13)18-12(8-17-11)10(4)22-9(2)3/h6-8H,2,4-5H2,1,3H3,(H2,16,18,19,20,21).
What are the key properties of 1-ethyl-3-[3-(1-prop-1-en-2-yloxyethenyl)pyrido[2,3-b]pyrazin-6-yl]urea?
1-ethyl-3-[3-(1-prop-1-en-2-yloxyethenyl)pyrido[2,3-b]pyrazin-6-yl]urea has a molecular weight of 299.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(1-prop-1-en-2-yloxyethenyl)pyrido[2,3-b]pyrazin-6-yl]urea is sourced from PubChem (CID 89036130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).