1-prop-2-enyl-3-pyrido[2,3-b]pyrazin-6-ylthiourea

C11H11N5S — CID 86011890

IUPAC1-prop-2-enyl-3-pyrido[2,3-b]pyrazin-6-ylthiourea
SMILESC=CCNC(=S)Nc1ccc2nccnc2n1
InChIInChI=1S/C11H11N5S/c1-2-5-14-11(17)16-9-4-3-8-10(15-9)13-7-6-12-8/h2-4,6-7H,1,5H2,(H2,13,14,15,16,17)
InChIKeyLZPUMXULQQGOQL-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.50
Rot. Bonds3

About 1-prop-2-enyl-3-pyrido[2,3-b]pyrazin-6-ylthiourea

1-prop-2-enyl-3-pyrido[2,3-b]pyrazin-6-ylthiourea (PubChem CID 86011890) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 1-prop-2-enyl-3-pyrido[2,3-b]pyrazin-6-ylthiourea.

Molecular Properties

Compound Name1-prop-2-enyl-3-pyrido[2,3-b]pyrazin-6-ylthiourea
PubChem CID86011890
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name1-prop-2-enyl-3-pyrido[2,3-b]pyrazin-6-ylthiourea
SMILESC=CCNC(=S)Nc1ccc2nccnc2n1
InChIInChI=1S/C11H11N5S/c1-2-5-14-11(17)16-9-4-3-8-10(15-9)13-7-6-12-8/h2-4,6-7H,1,5H2,(H2,13,14,15,16,17)
InChIKeyLZPUMXULQQGOQL-UHFFFAOYSA-N
XLogP1.50
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-pyrido[2,3-b]pyrazin-6-ylthiourea?
The IUPAC name of 1-prop-2-enyl-3-pyrido[2,3-b]pyrazin-6-ylthiourea (CID 86011890) is 1-prop-2-enyl-3-pyrido[2,3-b]pyrazin-6-ylthiourea.
What is the SMILES notation for 1-prop-2-enyl-3-pyrido[2,3-b]pyrazin-6-ylthiourea?
The canonical SMILES for 1-prop-2-enyl-3-pyrido[2,3-b]pyrazin-6-ylthiourea is C=CCNC(=S)Nc1ccc2nccnc2n1.
What is the InChIKey of 1-prop-2-enyl-3-pyrido[2,3-b]pyrazin-6-ylthiourea?
The InChIKey is LZPUMXULQQGOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-2-5-14-11(17)16-9-4-3-8-10(15-9)13-7-6-12-8/h2-4,6-7H,1,5H2,(H2,13,14,15,16,17).
What are the key properties of 1-prop-2-enyl-3-pyrido[2,3-b]pyrazin-6-ylthiourea?
1-prop-2-enyl-3-pyrido[2,3-b]pyrazin-6-ylthiourea has a molecular weight of 245.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-pyrido[2,3-b]pyrazin-6-ylthiourea is sourced from PubChem (CID 86011890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).