1-(2,3-dichlorophenyl)-3-(1,2,4-triazol-4-yl)urea

C9H7Cl2N5O — CID 970018

IUPAC1-(2,3-dichlorophenyl)-3-(1,2,4-triazol-4-yl)urea
SMILESO=C(Nc1cccc(Cl)c1Cl)Nn1cnnc1
InChIInChI=1S/C9H7Cl2N5O/c10-6-2-1-3-7(8(6)11)14-9(17)15-16-4-12-13-5-16/h1-5H,(H2,14,15,17)
InChIKeyIERSTYASGPBJOH-UHFFFAOYSA-N
MW272.10 g/mol
LogP2.36
Rot. Bonds2

About 1-(2,3-dichlorophenyl)-3-(1,2,4-triazol-4-yl)urea

1-(2,3-dichlorophenyl)-3-(1,2,4-triazol-4-yl)urea (PubChem CID 970018) has the molecular formula C9H7Cl2N5O and a molecular weight of 272.10 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(1,2,4-triazol-4-yl)urea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(1,2,4-triazol-4-yl)urea
PubChem CID970018
Molecular FormulaC9H7Cl2N5O
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name1-(2,3-dichlorophenyl)-3-(1,2,4-triazol-4-yl)urea
SMILESO=C(Nc1cccc(Cl)c1Cl)Nn1cnnc1
InChIInChI=1S/C9H7Cl2N5O/c10-6-2-1-3-7(8(6)11)14-9(17)15-16-4-12-13-5-16/h1-5H,(H2,14,15,17)
InChIKeyIERSTYASGPBJOH-UHFFFAOYSA-N
XLogP2.36
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea
CID 816658
1-(2,5-Dichlorophenyl)-3-(1,2,4-triazol-4-yl)thiourea
CID 2797460
1-(3-chlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea
CID 328377
1-(3-Chloro-2-methylphenyl)-3-(1,2,4-triazol-4-yl)urea
CID 17278360
1-(2,4-Dichlorophenyl)-3-(1,2,4-triazol-4-yl)urea
CID 17280624
1-(2,5-Dichlorophenyl)-3-(1,2,4-triazol-4-yl)urea
CID 24819493
N-(2,4-dichlorophenyl)-1H-1,2,4-triazol-5-amine
CID 2766472
2-(2,3-dichlorophenyl)-N-phenyl-1,2,4-triazol-3-amine
CID 44453893
1-(2-Chlorophenyl)-3-(1,2,4-triazol-4-yl)urea
CID 18807511
1-phenyl-3-(4H-1,2,4-triazol-4-yl)urea
CID 736779
N-(4-bromo-2-chlorophenyl)-N'-4H-1,2,4-triazol-4-ylurea
CID 978221
1-(2,4-Dichlorophenyl)-3-(1,2,4-triazol-4-yl)thiourea
CID 2392338

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(1,2,4-triazol-4-yl)urea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(1,2,4-triazol-4-yl)urea (CID 970018) is 1-(2,3-dichlorophenyl)-3-(1,2,4-triazol-4-yl)urea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(1,2,4-triazol-4-yl)urea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(1,2,4-triazol-4-yl)urea is O=C(Nc1cccc(Cl)c1Cl)Nn1cnnc1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(1,2,4-triazol-4-yl)urea?
The InChIKey is IERSTYASGPBJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N5O/c10-6-2-1-3-7(8(6)11)14-9(17)15-16-4-12-13-5-16/h1-5H,(H2,14,15,17).
What are the key properties of 1-(2,3-dichlorophenyl)-3-(1,2,4-triazol-4-yl)urea?
1-(2,3-dichlorophenyl)-3-(1,2,4-triazol-4-yl)urea has a molecular weight of 272.10 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-(1,2,4-triazol-4-yl)urea is sourced from PubChem (CID 970018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).