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

C9H8ClN5O — CID 816655

IUPAC1-(4-chlorophenyl)-3-(1,2,4-triazol-4-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nn1cnnc1
InChIInChI=1S/C9H8ClN5O/c10-7-1-3-8(4-2-7)13-9(16)14-15-5-11-12-6-15/h1-6H,(H2,13,14,16)
InChIKeyBLJMZHOTFSTIAH-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.71
Rot. Bonds2

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

1-(4-chlorophenyl)-3-(1,2,4-triazol-4-yl)urea (PubChem CID 816655) has the molecular formula C9H8ClN5O and a molecular weight of 237.65 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(1,2,4-triazol-4-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(1,2,4-triazol-4-yl)urea
PubChem CID816655
Molecular FormulaC9H8ClN5O
Molecular Weight237.65 g/mol
Exact Mass237.04
IUPAC Name1-(4-chlorophenyl)-3-(1,2,4-triazol-4-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nn1cnnc1
InChIInChI=1S/C9H8ClN5O/c10-7-1-3-8(4-2-7)13-9(16)14-15-5-11-12-6-15/h1-6H,(H2,13,14,16)
InChIKeyBLJMZHOTFSTIAH-UHFFFAOYSA-N
XLogP1.71
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.71
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-(3-chlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea
CID 328377
1-(2,3-Dichlorophenyl)-3-(1,2,4-triazol-4-yl)urea
CID 970018
[(4-methylphenyl)amino]-N-(1,2,4-triazol-4-yl)carboxamide
CID 4243595
N-(4-fluorophenyl)-N'-4H-1,2,4-triazol-4-ylurea
CID 4243596
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
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~3~-(4-Chlorophenyl)-1H-1,2,4-triazole-3,5-diamine
CID 720561

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(1,2,4-triazol-4-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(1,2,4-triazol-4-yl)urea (CID 816655) is 1-(4-chlorophenyl)-3-(1,2,4-triazol-4-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(1,2,4-triazol-4-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(1,2,4-triazol-4-yl)urea is O=C(Nc1ccc(Cl)cc1)Nn1cnnc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(1,2,4-triazol-4-yl)urea?
The InChIKey is BLJMZHOTFSTIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O/c10-7-1-3-8(4-2-7)13-9(16)14-15-5-11-12-6-15/h1-6H,(H2,13,14,16).
What are the key properties of 1-(4-chlorophenyl)-3-(1,2,4-triazol-4-yl)urea?
1-(4-chlorophenyl)-3-(1,2,4-triazol-4-yl)urea has a molecular weight of 237.65 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(1,2,4-triazol-4-yl)urea is sourced from PubChem (CID 816655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).