1-(2-benzyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-thiophen-2-ylurea

C18H15N5OS — CID 155544922

IUPAC1-(2-benzyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-thiophen-2-ylurea
SMILESO=C(Nc1ccc2nc(Cc3ccccc3)nn2c1)Nc1cccs1
InChIInChI=1S/C18H15N5OS/c24-18(21-17-7-4-10-25-17)19-14-8-9-16-20-15(22-23(16)12-14)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H2,19,21,24)
InChIKeyXNTJXJMMVJZISV-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.03
Rot. Bonds4

About 1-(2-benzyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-thiophen-2-ylurea

1-(2-benzyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-thiophen-2-ylurea (PubChem CID 155544922) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 1-(2-benzyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(2-benzyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-thiophen-2-ylurea
PubChem CID155544922
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name1-(2-benzyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-thiophen-2-ylurea
SMILESO=C(Nc1ccc2nc(Cc3ccccc3)nn2c1)Nc1cccs1
InChIInChI=1S/C18H15N5OS/c24-18(21-17-7-4-10-25-17)19-14-8-9-16-20-15(22-23(16)12-14)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H2,19,21,24)
InChIKeyXNTJXJMMVJZISV-UHFFFAOYSA-N
XLogP4.03
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(2-benzyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-thiophen-2-ylurea (CID 155544922) is 1-(2-benzyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(2-benzyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(2-benzyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-thiophen-2-ylurea is O=C(Nc1ccc2nc(Cc3ccccc3)nn2c1)Nc1cccs1.
What is the InChIKey of 1-(2-benzyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-thiophen-2-ylurea?
The InChIKey is XNTJXJMMVJZISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c24-18(21-17-7-4-10-25-17)19-14-8-9-16-20-15(22-23(16)12-14)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H2,19,21,24).
What are the key properties of 1-(2-benzyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-thiophen-2-ylurea?
1-(2-benzyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-thiophen-2-ylurea has a molecular weight of 349.42 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-thiophen-2-ylurea is sourced from PubChem (CID 155544922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).