1-(3-chloro-4-ethoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea

C16H16ClN5O2 — CID 87009930

IUPAC1-(3-chloro-4-ethoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
SMILESCCOc1ccc(NC(=O)NCc2nnc3ccccn23)cc1Cl
InChIInChI=1S/C16H16ClN5O2/c1-2-24-13-7-6-11(9-12(13)17)19-16(23)18-10-15-21-20-14-5-3-4-8-22(14)15/h3-9H,2,10H2,1H3,(H2,18,19,23)
InChIKeyROZVIFFBBURIBN-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.10
Rot. Bonds5

About 1-(3-chloro-4-ethoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea

1-(3-chloro-4-ethoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea (PubChem CID 87009930) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is 1-(3-chloro-4-ethoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-ethoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
PubChem CID87009930
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC Name1-(3-chloro-4-ethoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
SMILESCCOc1ccc(NC(=O)NCc2nnc3ccccn23)cc1Cl
InChIInChI=1S/C16H16ClN5O2/c1-2-24-13-7-6-11(9-12(13)17)19-16(23)18-10-15-21-20-14-5-3-4-8-22(14)15/h3-9H,2,10H2,1H3,(H2,18,19,23)
InChIKeyROZVIFFBBURIBN-UHFFFAOYSA-N
XLogP3.10
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-chloro-4-ethoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea with MolForge

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Related Compounds

1-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 51290333
4-(2,4-dichlorophenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 39761431
1-(3-ethynylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 86988197
1-(5-methyl-1,2-oxazol-3-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 47139422
3-(phenylcarbamoylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9451649
3-chloro-4,5-dimethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021133
1-(3-chloro-4-ethoxyphenyl)-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
CID 87009940
1-(4-propan-2-ylphenyl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 91947817
1-(3-chloro-4-ethoxyphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 87009935
2-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 27848565
3,5-dimethoxy-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 39761297
N-(3-chloro-4-ethoxyphenyl)-3-pyrazol-1-ylpropanamide
CID 47352808

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-ethoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(3-chloro-4-ethoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea (CID 87009930) is 1-(3-chloro-4-ethoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(3-chloro-4-ethoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(3-chloro-4-ethoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea is CCOc1ccc(NC(=O)NCc2nnc3ccccn23)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-ethoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea?
The InChIKey is ROZVIFFBBURIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-2-24-13-7-6-11(9-12(13)17)19-16(23)18-10-15-21-20-14-5-3-4-8-22(14)15/h3-9H,2,10H2,1H3,(H2,18,19,23).
What are the key properties of 1-(3-chloro-4-ethoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea?
1-(3-chloro-4-ethoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea has a molecular weight of 345.79 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-ethoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea is sourced from PubChem (CID 87009930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).