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

C11H12IN5O2 — CID 141494834

IUPAC1-(4-iodophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea
SMILESCC1=NNC(=O)N(NC(=O)Nc2ccc(I)cc2)C1
InChIInChI=1S/C11H12IN5O2/c1-7-6-17(11(19)15-14-7)16-10(18)13-9-4-2-8(12)3-5-9/h2-5H,6H2,1H3,(H,15,19)(H2,13,16,18)
InChIKeyHLFDSRIYBNGPBZ-UHFFFAOYSA-N
MW373.15 g/mol
LogP1.73
Rot. Bonds2

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

1-(4-iodophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea (PubChem CID 141494834) has the molecular formula C11H12IN5O2 and a molecular weight of 373.15 g/mol. Its IUPAC name is 1-(4-iodophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea.

Molecular Properties

Compound Name1-(4-iodophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea
PubChem CID141494834
Molecular FormulaC11H12IN5O2
Molecular Weight373.15 g/mol
Exact Mass373.00
IUPAC Name1-(4-iodophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea
SMILESCC1=NNC(=O)N(NC(=O)Nc2ccc(I)cc2)C1
InChIInChI=1S/C11H12IN5O2/c1-7-6-17(11(19)15-14-7)16-10(18)13-9-4-2-8(12)3-5-9/h2-5H,6H2,1H3,(H,15,19)(H2,13,16,18)
InChIKeyHLFDSRIYBNGPBZ-UHFFFAOYSA-N
XLogP1.73
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.15
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-iodophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)thiourea
CID 141494864
1-(3-methoxyphenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea
CID 141494846
N-(4-iodophenyl)acetamide
CID 12147
1-(4-iodophenyl)-3-(1-methylpiperidin-4-yl)urea
CID 47133004
1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea
CID 47193624
N-(4-iodophenyl)-5-methylpyrazine-2-carboxamide
CID 2388228
1-(4-iodophenyl)-3-(3-oxobutyl)urea
CID 108895214
1-(cyclopropylmethyl)-3-(4-iodophenyl)urea
CID 47032047
2-acetamido-N-[2-(4-iodoanilino)-2-oxoethyl]acetamide
CID 60559925
2-[(4-iodophenyl)carbamoylamino]acetic acid
CID 43445581
1-(3-bromo-4-methylphenyl)-3-(3-methyl-2,4-dioxoimidazolidin-1-yl)urea
CID 75453174
1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 61400251

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea?
The IUPAC name of 1-(4-iodophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea (CID 141494834) is 1-(4-iodophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea.
What is the SMILES notation for 1-(4-iodophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea?
The canonical SMILES for 1-(4-iodophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea is CC1=NNC(=O)N(NC(=O)Nc2ccc(I)cc2)C1.
What is the InChIKey of 1-(4-iodophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea?
The InChIKey is HLFDSRIYBNGPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN5O2/c1-7-6-17(11(19)15-14-7)16-10(18)13-9-4-2-8(12)3-5-9/h2-5H,6H2,1H3,(H,15,19)(H2,13,16,18).
What are the key properties of 1-(4-iodophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea?
1-(4-iodophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea has a molecular weight of 373.15 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)urea is sourced from PubChem (CID 141494834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).