1-cyclopropyl-3-[3-(1-methyltriazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea

C14H14N8S — CID 88994072

IUPAC1-cyclopropyl-3-[3-(1-methyltriazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
SMILESCn1cc(-c2cnc3ccc(NC(=S)NC4CC4)nc3n2)nn1
InChIInChI=1S/C14H14N8S/c1-22-7-11(20-21-22)10-6-15-9-4-5-12(18-13(9)17-10)19-14(23)16-8-2-3-8/h4-8H,2-3H2,1H3,(H2,16,17,18,19,23)
InChIKeyCFLNAGJOPBBOFB-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.27
Rot. Bonds3

About 1-cyclopropyl-3-[3-(1-methyltriazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea

1-cyclopropyl-3-[3-(1-methyltriazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea (PubChem CID 88994072) has the molecular formula C14H14N8S and a molecular weight of 326.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-(1-methyltriazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-(1-methyltriazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
PubChem CID88994072
Molecular FormulaC14H14N8S
Molecular Weight326.39 g/mol
Exact Mass326.11
IUPAC Name1-cyclopropyl-3-[3-(1-methyltriazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea
SMILESCn1cc(-c2cnc3ccc(NC(=S)NC4CC4)nc3n2)nn1
InChIInChI=1S/C14H14N8S/c1-22-7-11(20-21-22)10-6-15-9-4-5-12(18-13(9)17-10)19-14(23)16-8-2-3-8/h4-8H,2-3H2,1H3,(H2,16,17,18,19,23)
InChIKeyCFLNAGJOPBBOFB-UHFFFAOYSA-N
XLogP1.27
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-(1-methyltriazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
The IUPAC name of 1-cyclopropyl-3-[3-(1-methyltriazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea (CID 88994072) is 1-cyclopropyl-3-[3-(1-methyltriazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[3-(1-methyltriazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[3-(1-methyltriazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea is Cn1cc(-c2cnc3ccc(NC(=S)NC4CC4)nc3n2)nn1.
What is the InChIKey of 1-cyclopropyl-3-[3-(1-methyltriazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
The InChIKey is CFLNAGJOPBBOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N8S/c1-22-7-11(20-21-22)10-6-15-9-4-5-12(18-13(9)17-10)19-14(23)16-8-2-3-8/h4-8H,2-3H2,1H3,(H2,16,17,18,19,23).
What are the key properties of 1-cyclopropyl-3-[3-(1-methyltriazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea?
1-cyclopropyl-3-[3-(1-methyltriazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea has a molecular weight of 326.39 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-(1-methyltriazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]thiourea is sourced from PubChem (CID 88994072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).