1-ethyl-3-[7-pyridin-3-yl-5-(thiadiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea

C16H14N8OS — CID 68835902

IUPAC1-ethyl-3-[7-pyridin-3-yl-5-(thiadiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3csnn3)n2n1
InChIInChI=1S/C16H14N8OS/c1-2-18-16(25)20-15-19-14-7-11(10-4-3-5-17-8-10)6-13(24(14)22-15)12-9-26-23-21-12/h3-9H,2H2,1H3,(H2,18,20,22,25)
InChIKeyLTRSBYFLMFWIOX-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.45
Rot. Bonds4

About 1-ethyl-3-[7-pyridin-3-yl-5-(thiadiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea

1-ethyl-3-[7-pyridin-3-yl-5-(thiadiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea (PubChem CID 68835902) has the molecular formula C16H14N8OS and a molecular weight of 366.41 g/mol. Its IUPAC name is 1-ethyl-3-[7-pyridin-3-yl-5-(thiadiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[7-pyridin-3-yl-5-(thiadiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
PubChem CID68835902
Molecular FormulaC16H14N8OS
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Name1-ethyl-3-[7-pyridin-3-yl-5-(thiadiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3csnn3)n2n1
InChIInChI=1S/C16H14N8OS/c1-2-18-16(25)20-15-19-14-7-11(10-4-3-5-17-8-10)6-13(24(14)22-15)12-9-26-23-21-12/h3-9H,2H2,1H3,(H2,18,20,22,25)
InChIKeyLTRSBYFLMFWIOX-UHFFFAOYSA-N
XLogP2.45
TPSA109.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[7-pyridin-3-yl-5-(thiadiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[7-pyridin-3-yl-5-(thiadiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea (CID 68835902) is 1-ethyl-3-[7-pyridin-3-yl-5-(thiadiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[7-pyridin-3-yl-5-(thiadiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[7-pyridin-3-yl-5-(thiadiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea is CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3csnn3)n2n1.
What is the InChIKey of 1-ethyl-3-[7-pyridin-3-yl-5-(thiadiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
The InChIKey is LTRSBYFLMFWIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8OS/c1-2-18-16(25)20-15-19-14-7-11(10-4-3-5-17-8-10)6-13(24(14)22-15)12-9-26-23-21-12/h3-9H,2H2,1H3,(H2,18,20,22,25).
What are the key properties of 1-ethyl-3-[7-pyridin-3-yl-5-(thiadiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea?
1-ethyl-3-[7-pyridin-3-yl-5-(thiadiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea has a molecular weight of 366.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[7-pyridin-3-yl-5-(thiadiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea is sourced from PubChem (CID 68835902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).