1-(2,4-difluorophenyl)-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea

C10H9F2N5O2 — CID 83101976

IUPAC1-(2,4-difluorophenyl)-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea
SMILESCOc1n[nH]c(NC(=O)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C10H9F2N5O2/c1-19-10-15-8(16-17-10)14-9(18)13-7-3-2-5(11)4-6(7)12/h2-4H,1H3,(H3,13,14,15,16,17,18)
InChIKeyFPLMXTPIMAZPDW-UHFFFAOYSA-N
MW269.21 g/mol
LogP1.74
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea

1-(2,4-difluorophenyl)-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea (PubChem CID 83101976) has the molecular formula C10H9F2N5O2 and a molecular weight of 269.21 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea
PubChem CID83101976
Molecular FormulaC10H9F2N5O2
Molecular Weight269.21 g/mol
Exact Mass269.07
IUPAC Name1-(2,4-difluorophenyl)-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea
SMILESCOc1n[nH]c(NC(=O)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C10H9F2N5O2/c1-19-10-15-8(16-17-10)14-9(18)13-7-3-2-5(11)4-6(7)12/h2-4H,1H3,(H3,13,14,15,16,17,18)
InChIKeyFPLMXTPIMAZPDW-UHFFFAOYSA-N
XLogP1.74
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
CID 112631345
1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 972200
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
1-(2,4-difluorophenyl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)urea
CID 104620541
1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620412
2-(2,3-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83101153
1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 46859657
1-(2,5-difluorophenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 122301482
1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 43288460
3-chloro-6-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-benzothiophene-2-carboxamide
CID 83097169
1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea
CID 122301865

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea (CID 83101976) is 1-(2,4-difluorophenyl)-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea is COc1n[nH]c(NC(=O)Nc2ccc(F)cc2F)n1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea?
The InChIKey is FPLMXTPIMAZPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N5O2/c1-19-10-15-8(16-17-10)14-9(18)13-7-3-2-5(11)4-6(7)12/h2-4H,1H3,(H3,13,14,15,16,17,18).
What are the key properties of 1-(2,4-difluorophenyl)-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea?
1-(2,4-difluorophenyl)-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea has a molecular weight of 269.21 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea is sourced from PubChem (CID 83101976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).