1-(2,4-difluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea

C11H11F2N5O2 — CID 141494837

IUPAC1-(2,4-difluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea
SMILESCC1=NNC(=O)N(NC(=O)Nc2ccc(F)cc2F)C1
InChIInChI=1S/C11H11F2N5O2/c1-6-5-18(11(20)16-15-6)17-10(19)14-9-3-2-7(12)4-8(9)13/h2-4H,5H2,1H3,(H,16,20)(H2,14,17,19)
InChIKeyZSBOKZIABBRMQW-UHFFFAOYSA-N
MW283.24 g/mol
LogP1.40
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea

1-(2,4-difluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea (PubChem CID 141494837) has the molecular formula C11H11F2N5O2 and a molecular weight of 283.24 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea
PubChem CID141494837
Molecular FormulaC11H11F2N5O2
Molecular Weight283.24 g/mol
Exact Mass283.09
IUPAC Name1-(2,4-difluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea
SMILESCC1=NNC(=O)N(NC(=O)Nc2ccc(F)cc2F)C1
InChIInChI=1S/C11H11F2N5O2/c1-6-5-18(11(20)16-15-6)17-10(19)14-9-3-2-7(12)4-8(9)13/h2-4H,5H2,1H3,(H,16,20)(H2,14,17,19)
InChIKeyZSBOKZIABBRMQW-UHFFFAOYSA-N
XLogP1.40
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 226638
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1-(4-Fluorophenyl)-3-(4-methylpiperazin-1-yl)urea
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1-[Methyl(prop-2-enyl)amino]-3-phenylurea
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CID 47075722
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CID 71793298
1-(3-Fluorophenyl)-3-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propyl]urea
CID 136217393
N-phenyl-2-(propan-2-ylidene)hydrazinecarboxamide
CID 904463
1-(Phenylcarbamoyl)-2-pyrazoline
CID 22613946
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CID 51062882

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea (CID 141494837) is 1-(2,4-difluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea is CC1=NNC(=O)N(NC(=O)Nc2ccc(F)cc2F)C1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea?
The InChIKey is ZSBOKZIABBRMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5O2/c1-6-5-18(11(20)16-15-6)17-10(19)14-9-3-2-7(12)4-8(9)13/h2-4H,5H2,1H3,(H,16,20)(H2,14,17,19).
What are the key properties of 1-(2,4-difluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea?
1-(2,4-difluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea has a molecular weight of 283.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea is sourced from PubChem (CID 141494837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).