1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

C18H21N5O2 — CID 100665465

IUPAC1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESCCOCc1ccccc1CNC(=O)Nc1ccc2nc(C)nn2c1
InChIInChI=1S/C18H21N5O2/c1-3-25-12-15-7-5-4-6-14(15)10-19-18(24)21-16-8-9-17-20-13(2)22-23(17)11-16/h4-9,11H,3,10,12H2,1-2H3,(H2,19,21,24)
InChIKeyVFOLXMGHGIGORW-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.90
Rot. Bonds6

About 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (PubChem CID 100665465) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
PubChem CID100665465
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESCCOCc1ccccc1CNC(=O)Nc1ccc2nc(C)nn2c1
InChIInChI=1S/C18H21N5O2/c1-3-25-12-15-7-5-4-6-14(15)10-19-18(24)21-16-8-9-17-20-13(2)22-23(17)11-16/h4-9,11H,3,10,12H2,1-2H3,(H2,19,21,24)
InChIKeyVFOLXMGHGIGORW-UHFFFAOYSA-N
XLogP2.90
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The IUPAC name of 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (CID 100665465) is 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.
What is the SMILES notation for 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The canonical SMILES for 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is CCOCc1ccccc1CNC(=O)Nc1ccc2nc(C)nn2c1.
What is the InChIKey of 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The InChIKey is VFOLXMGHGIGORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-3-25-12-15-7-5-4-6-14(15)10-19-18(24)21-16-8-9-17-20-13(2)22-23(17)11-16/h4-9,11H,3,10,12H2,1-2H3,(H2,19,21,24).
What are the key properties of 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea has a molecular weight of 339.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is sourced from PubChem (CID 100665465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).