1-[3-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea

C17H15N5OS — CID 11233010

IUPAC1-[3-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea
SMILESC=CCNC(=S)Nc1ccc2ncc(-c3cccc(O)c3)nc2n1
InChIInChI=1S/C17H15N5OS/c1-2-8-18-17(24)22-15-7-6-13-16(21-15)20-14(10-19-13)11-4-3-5-12(23)9-11/h2-7,9-10,23H,1,8H2,(H2,18,20,21,22,24)
InChIKeyKQZVKLDSKAWHJQ-UHFFFAOYSA-N
MW337.41 g/mol
LogP2.87
Rot. Bonds4

About 1-[3-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea

1-[3-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea (PubChem CID 11233010) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is 1-[3-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-[3-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea
PubChem CID11233010
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name1-[3-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea
SMILESC=CCNC(=S)Nc1ccc2ncc(-c3cccc(O)c3)nc2n1
InChIInChI=1S/C17H15N5OS/c1-2-8-18-17(24)22-15-7-6-13-16(21-15)20-14(10-19-13)11-4-3-5-12(23)9-11/h2-7,9-10,23H,1,8H2,(H2,18,20,21,22,24)
InChIKeyKQZVKLDSKAWHJQ-UHFFFAOYSA-N
XLogP2.87
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[3-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea?
The IUPAC name of 1-[3-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea (CID 11233010) is 1-[3-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea.
What is the SMILES notation for 1-[3-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea?
The canonical SMILES for 1-[3-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea is C=CCNC(=S)Nc1ccc2ncc(-c3cccc(O)c3)nc2n1.
What is the InChIKey of 1-[3-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea?
The InChIKey is KQZVKLDSKAWHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-2-8-18-17(24)22-15-7-6-13-16(21-15)20-14(10-19-13)11-4-3-5-12(23)9-11/h2-7,9-10,23H,1,8H2,(H2,18,20,21,22,24).
What are the key properties of 1-[3-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea?
1-[3-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea has a molecular weight of 337.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea is sourced from PubChem (CID 11233010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).