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

C11H12FN5O2 — CID 141494878

IUPAC1-(3-fluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea
SMILESCC1=NNC(=O)N(NC(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C11H12FN5O2/c1-7-6-17(11(19)15-14-7)16-10(18)13-9-4-2-3-8(12)5-9/h2-5H,6H2,1H3,(H,15,19)(H2,13,16,18)
InChIKeyFNCZSUBPHSBXLH-UHFFFAOYSA-N
MW265.25 g/mol
LogP1.26
Rot. Bonds2

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

1-(3-fluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea (PubChem CID 141494878) has the molecular formula C11H12FN5O2 and a molecular weight of 265.25 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea
PubChem CID141494878
Molecular FormulaC11H12FN5O2
Molecular Weight265.25 g/mol
Exact Mass265.10
IUPAC Name1-(3-fluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea
SMILESCC1=NNC(=O)N(NC(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C11H12FN5O2/c1-7-6-17(11(19)15-14-7)16-10(18)13-9-4-2-3-8(12)5-9/h2-5H,6H2,1H3,(H,15,19)(H2,13,16,18)
InChIKeyFNCZSUBPHSBXLH-UHFFFAOYSA-N
XLogP1.26
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea?
The IUPAC name of 1-(3-fluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea (CID 141494878) is 1-(3-fluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea is CC1=NNC(=O)N(NC(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea?
The InChIKey is FNCZSUBPHSBXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O2/c1-7-6-17(11(19)15-14-7)16-10(18)13-9-4-2-3-8(12)5-9/h2-5H,6H2,1H3,(H,15,19)(H2,13,16,18).
What are the key properties of 1-(3-fluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea?
1-(3-fluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea has a molecular weight of 265.25 g/mol, XLogP of 1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea is sourced from PubChem (CID 141494878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).