1-(3-chloro-2-methoxyphenyl)-3-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]urea

C14H16ClN5O2 — CID 71973206

IUPAC1-(3-chloro-2-methoxyphenyl)-3-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCOc1c(Cl)cccc1NC(=O)NCc1nncn1C1CC1
InChIInChI=1S/C14H16ClN5O2/c1-22-13-10(15)3-2-4-11(13)18-14(21)16-7-12-19-17-8-20(12)9-5-6-9/h2-4,8-9H,5-7H2,1H3,(H2,16,18,21)
InChIKeyTWQSBKXSWJZMBJ-UHFFFAOYSA-N
MW321.77 g/mol
LogP2.60
Rot. Bonds5

About 1-(3-chloro-2-methoxyphenyl)-3-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]urea

1-(3-chloro-2-methoxyphenyl)-3-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]urea (PubChem CID 71973206) has the molecular formula C14H16ClN5O2 and a molecular weight of 321.77 g/mol. Its IUPAC name is 1-(3-chloro-2-methoxyphenyl)-3-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-methoxyphenyl)-3-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]urea
PubChem CID71973206
Molecular FormulaC14H16ClN5O2
Molecular Weight321.77 g/mol
Exact Mass321.10
IUPAC Name1-(3-chloro-2-methoxyphenyl)-3-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCOc1c(Cl)cccc1NC(=O)NCc1nncn1C1CC1
InChIInChI=1S/C14H16ClN5O2/c1-22-13-10(15)3-2-4-11(13)18-14(21)16-7-12-19-17-8-20(12)9-5-6-9/h2-4,8-9H,5-7H2,1H3,(H2,16,18,21)
InChIKeyTWQSBKXSWJZMBJ-UHFFFAOYSA-N
XLogP2.60
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-chloro-2-methoxyphenyl)-3-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]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-(3-chloro-2-methoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103686
1-(3-chloro-2-methoxyphenyl)-3-[(2-hydroxycyclopentyl)methyl]urea
CID 71992522
1-(3-chloro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110903965
1-(3-chloro-2-methoxyphenyl)-3-cyclohexylurea
CID 5148075
1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(4-pentylphenyl)urea
CID 71857916
1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-4-propan-2-yloxyphenyl)urea
CID 71857838
1-(6-chloro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]urea
CID 146088079
1-(3-chloro-2-methoxyphenyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111103684
1-(3-chloro-2-methoxyphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976344
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxyquinoline-2-carboxamide
CID 131922619
1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-[(1R)-2,2,2-trifluoro-1-phenylethyl]urea
CID 99635131
1-(3-chloro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453246

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methoxyphenyl)-3-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]urea?
The IUPAC name of 1-(3-chloro-2-methoxyphenyl)-3-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]urea (CID 71973206) is 1-(3-chloro-2-methoxyphenyl)-3-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(3-chloro-2-methoxyphenyl)-3-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]urea?
The canonical SMILES for 1-(3-chloro-2-methoxyphenyl)-3-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]urea is COc1c(Cl)cccc1NC(=O)NCc1nncn1C1CC1.
What is the InChIKey of 1-(3-chloro-2-methoxyphenyl)-3-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]urea?
The InChIKey is TWQSBKXSWJZMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O2/c1-22-13-10(15)3-2-4-11(13)18-14(21)16-7-12-19-17-8-20(12)9-5-6-9/h2-4,8-9H,5-7H2,1H3,(H2,16,18,21).
What are the key properties of 1-(3-chloro-2-methoxyphenyl)-3-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]urea?
1-(3-chloro-2-methoxyphenyl)-3-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]urea has a molecular weight of 321.77 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methoxyphenyl)-3-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]urea is sourced from PubChem (CID 71973206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).