1-(3,4-dichlorophenyl)-3-(3,5-dimethyl-1,2,4-triazol-4-yl)urea

C11H11Cl2N5O — CID 100818916

IUPAC1-(3,4-dichlorophenyl)-3-(3,5-dimethyl-1,2,4-triazol-4-yl)urea
SMILESCc1nnc(C)n1NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H11Cl2N5O/c1-6-15-16-7(2)18(6)17-11(19)14-8-3-4-9(12)10(13)5-8/h3-5H,1-2H3,(H2,14,17,19)
InChIKeyZAUYFDMYURUBIB-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.98
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-(3,5-dimethyl-1,2,4-triazol-4-yl)urea

1-(3,4-dichlorophenyl)-3-(3,5-dimethyl-1,2,4-triazol-4-yl)urea (PubChem CID 100818916) has the molecular formula C11H11Cl2N5O and a molecular weight of 300.15 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(3,5-dimethyl-1,2,4-triazol-4-yl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(3,5-dimethyl-1,2,4-triazol-4-yl)urea
PubChem CID100818916
Molecular FormulaC11H11Cl2N5O
Molecular Weight300.15 g/mol
Exact Mass299.03
IUPAC Name1-(3,4-dichlorophenyl)-3-(3,5-dimethyl-1,2,4-triazol-4-yl)urea
SMILESCc1nnc(C)n1NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H11Cl2N5O/c1-6-15-16-7(2)18(6)17-11(19)14-8-3-4-9(12)10(13)5-8/h3-5H,1-2H3,(H2,14,17,19)
InChIKeyZAUYFDMYURUBIB-UHFFFAOYSA-N
XLogP2.98
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-(3,4-dichlorophenyl)urea
CID 2121673
1-(3-chloro-4-methylphenyl)-3-(1,2,4-triazol-4-yl)urea
CID 17278361
1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
CID 639709
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
1-carbamothioyl-3-(3,4-dichlorophenyl)urea
CID 134095672
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
1-(2-chloro-6-methylphenyl)-3-(3,4-dichlorophenyl)urea
CID 4224094
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 671584
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
(2S)-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid
CID 945760

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(3,5-dimethyl-1,2,4-triazol-4-yl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(3,5-dimethyl-1,2,4-triazol-4-yl)urea (CID 100818916) is 1-(3,4-dichlorophenyl)-3-(3,5-dimethyl-1,2,4-triazol-4-yl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(3,5-dimethyl-1,2,4-triazol-4-yl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(3,5-dimethyl-1,2,4-triazol-4-yl)urea is Cc1nnc(C)n1NC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(3,5-dimethyl-1,2,4-triazol-4-yl)urea?
The InChIKey is ZAUYFDMYURUBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N5O/c1-6-15-16-7(2)18(6)17-11(19)14-8-3-4-9(12)10(13)5-8/h3-5H,1-2H3,(H2,14,17,19).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(3,5-dimethyl-1,2,4-triazol-4-yl)urea?
1-(3,4-dichlorophenyl)-3-(3,5-dimethyl-1,2,4-triazol-4-yl)urea has a molecular weight of 300.15 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(3,5-dimethyl-1,2,4-triazol-4-yl)urea is sourced from PubChem (CID 100818916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).