1-(2-chloro-4-iodophenyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea

C15H13ClIN5O — CID 112825620

IUPAC1-(2-chloro-4-iodophenyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
SMILESCC(NC(=O)Nc1ccc(I)cc1Cl)c1nnc2ccccn12
InChIInChI=1S/C15H13ClIN5O/c1-9(14-21-20-13-4-2-3-7-22(13)14)18-15(23)19-12-6-5-10(17)8-11(12)16/h2-9H,1H3,(H2,18,19,23)
InChIKeyUANGTIKWQHPEDX-UHFFFAOYSA-N
MW441.66 g/mol
LogP3.87
Rot. Bonds3

About 1-(2-chloro-4-iodophenyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea

1-(2-chloro-4-iodophenyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea (PubChem CID 112825620) has the molecular formula C15H13ClIN5O and a molecular weight of 441.66 g/mol. Its IUPAC name is 1-(2-chloro-4-iodophenyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-chloro-4-iodophenyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
PubChem CID112825620
Molecular FormulaC15H13ClIN5O
Molecular Weight441.66 g/mol
Exact Mass440.99
IUPAC Name1-(2-chloro-4-iodophenyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
SMILESCC(NC(=O)Nc1ccc(I)cc1Cl)c1nnc2ccccn12
InChIInChI=1S/C15H13ClIN5O/c1-9(14-21-20-13-4-2-3-7-22(13)14)18-15(23)19-12-6-5-10(17)8-11(12)16/h2-9H,1H3,(H2,18,19,23)
InChIKeyUANGTIKWQHPEDX-UHFFFAOYSA-N
XLogP3.87
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.66
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-chloro-4-iodophenyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea
CID 47202224
2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoylamino]propanediamide
CID 154774195
2-(methylamino)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 55097089
2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
CID 7693263
3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51247608
2,2-diphenyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 7692945
2-(2,5-dichlorophenyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 96548439
1-benzyl-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 47012876
2,2,2-trifluoro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 62492143
2-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 43703564
4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 47013078
1-(2,4-difluorophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 95154279

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-iodophenyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea?
The IUPAC name of 1-(2-chloro-4-iodophenyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea (CID 112825620) is 1-(2-chloro-4-iodophenyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea.
What is the SMILES notation for 1-(2-chloro-4-iodophenyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea?
The canonical SMILES for 1-(2-chloro-4-iodophenyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea is CC(NC(=O)Nc1ccc(I)cc1Cl)c1nnc2ccccn12.
What is the InChIKey of 1-(2-chloro-4-iodophenyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea?
The InChIKey is UANGTIKWQHPEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClIN5O/c1-9(14-21-20-13-4-2-3-7-22(13)14)18-15(23)19-12-6-5-10(17)8-11(12)16/h2-9H,1H3,(H2,18,19,23).
What are the key properties of 1-(2-chloro-4-iodophenyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea?
1-(2-chloro-4-iodophenyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea has a molecular weight of 441.66 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-iodophenyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea is sourced from PubChem (CID 112825620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).