1-(5-chloro-2-methylphenyl)-3-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]urea

C15H18ClN5O — CID 75510940

IUPAC1-(5-chloro-2-methylphenyl)-3-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]urea
SMILESCc1ccc(Cl)cc1NC(=O)NCCn1cnnc1C1CC1
InChIInChI=1S/C15H18ClN5O/c1-10-2-5-12(16)8-13(10)19-15(22)17-6-7-21-9-18-20-14(21)11-3-4-11/h2,5,8-9,11H,3-4,6-7H2,1H3,(H2,17,19,22)
InChIKeyTZRSWKBDSNOCRB-UHFFFAOYSA-N
MW319.80 g/mol
LogP2.94
Rot. Bonds5

About 1-(5-chloro-2-methylphenyl)-3-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]urea

1-(5-chloro-2-methylphenyl)-3-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]urea (PubChem CID 75510940) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]urea
PubChem CID75510940
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name1-(5-chloro-2-methylphenyl)-3-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]urea
SMILESCc1ccc(Cl)cc1NC(=O)NCCn1cnnc1C1CC1
InChIInChI=1S/C15H18ClN5O/c1-10-2-5-12(16)8-13(10)19-15(22)17-6-7-21-9-18-20-14(21)11-3-4-11/h2,5,8-9,11H,3-4,6-7H2,1H3,(H2,17,19,22)
InChIKeyTZRSWKBDSNOCRB-UHFFFAOYSA-N
XLogP2.94
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7996181
N-(5-chloro-2-methylphenyl)-2-(cyclopropylamino)acetamide
CID 43405290
N-(5-chloro-2-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide
CID 62118270
N-(5-chloro-2-methylphenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8722910
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide
CID 7426937
1-(5-chloro-2-methoxyphenyl)-3-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]urea
CID 90542095
1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 51427378
1-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea
CID 91628992
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea
CID 3671934
N-(5-chloro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969556
N-(5-chloro-2-methylphenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 46685152

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]urea?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]urea (CID 75510940) is 1-(5-chloro-2-methylphenyl)-3-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]urea is Cc1ccc(Cl)cc1NC(=O)NCCn1cnnc1C1CC1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]urea?
The InChIKey is TZRSWKBDSNOCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O/c1-10-2-5-12(16)8-13(10)19-15(22)17-6-7-21-9-18-20-14(21)11-3-4-11/h2,5,8-9,11H,3-4,6-7H2,1H3,(H2,17,19,22).
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]urea?
1-(5-chloro-2-methylphenyl)-3-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]urea has a molecular weight of 319.80 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]urea is sourced from PubChem (CID 75510940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).