3-[(4-fluorophenyl)methyl]-6-(hydroxyamino)-1H-1,3,5-triazine-2,4-dione

C10H9FN4O3 — CID 155808183

IUPAC3-[(4-fluorophenyl)methyl]-6-(hydroxyamino)-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(NO)[nH]c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C10H9FN4O3/c11-7-3-1-6(2-4-7)5-15-9(16)12-8(14-18)13-10(15)17/h1-4,18H,5H2,(H2,12,13,14,16,17)
InChIKeyNVDQXVYPJYLQTQ-UHFFFAOYSA-N
MW252.21 g/mol
LogP-0.08
Rot. Bonds3

About 3-[(4-fluorophenyl)methyl]-6-(hydroxyamino)-1H-1,3,5-triazine-2,4-dione

3-[(4-fluorophenyl)methyl]-6-(hydroxyamino)-1H-1,3,5-triazine-2,4-dione (PubChem CID 155808183) has the molecular formula C10H9FN4O3 and a molecular weight of 252.21 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-6-(hydroxyamino)-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-6-(hydroxyamino)-1H-1,3,5-triazine-2,4-dione
PubChem CID155808183
Molecular FormulaC10H9FN4O3
Molecular Weight252.21 g/mol
Exact Mass252.07
IUPAC Name3-[(4-fluorophenyl)methyl]-6-(hydroxyamino)-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(NO)[nH]c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C10H9FN4O3/c11-7-3-1-6(2-4-7)5-15-9(16)12-8(14-18)13-10(15)17/h1-4,18H,5H2,(H2,12,13,14,16,17)
InChIKeyNVDQXVYPJYLQTQ-UHFFFAOYSA-N
XLogP-0.08
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-6-one
CID 118577456
4-Ethylimino-6-(4-fluorophenyl)-1,3,5-triazinan-2-one
CID 136728217
1-Benzyl-3-(diaminomethylidene)urea;hydrochloride
CID 19360534
4-(4-Fluorophenyl)-6-propylimino-1,3,5-triazinan-2-one
CID 137129944
Imidodicarbonic diamide, N-ethyl-N'-(phenylmethyl)-
CID 3059248
1-(2-(5-Benzyl-1-(4-fluorobenzyl)-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-ylamino)ethyl)guanidine
CID 11950301
6-Benzylamino-1H-[1,3,5]triazine-2,4-dione
CID 13667945
4-(benzylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one
CID 70682271
3-[(4-fluorophenyl)methyl]-6-methylsulfanyl-1H-1,3,5-triazine-2,4-dione
CID 59550686
4-amino-2-phenyl-2,5-dihydro-1H-1,3,5-triazin-6-one
CID 35516
1-Benzyl-1,3,5-triazine-2,4(1h,3h)-dione
CID 253900
6-[(4-methylbenzyl)amino]-3-propyl-1H-s-triazine-2,4-quinone
CID 16654715

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-6-(hydroxyamino)-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-6-(hydroxyamino)-1H-1,3,5-triazine-2,4-dione (CID 155808183) is 3-[(4-fluorophenyl)methyl]-6-(hydroxyamino)-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-6-(hydroxyamino)-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-6-(hydroxyamino)-1H-1,3,5-triazine-2,4-dione is O=c1nc(NO)[nH]c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-6-(hydroxyamino)-1H-1,3,5-triazine-2,4-dione?
The InChIKey is NVDQXVYPJYLQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O3/c11-7-3-1-6(2-4-7)5-15-9(16)12-8(14-18)13-10(15)17/h1-4,18H,5H2,(H2,12,13,14,16,17).
What are the key properties of 3-[(4-fluorophenyl)methyl]-6-(hydroxyamino)-1H-1,3,5-triazine-2,4-dione?
3-[(4-fluorophenyl)methyl]-6-(hydroxyamino)-1H-1,3,5-triazine-2,4-dione has a molecular weight of 252.21 g/mol, XLogP of -0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-6-(hydroxyamino)-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 155808183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).