6-(fluoromethyl)-2-methyl-1,2,4-triazine-3,5-dione

C5H6FN3O2 — CID 155363548

IUPAC6-(fluoromethyl)-2-methyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(CF)c(=O)[nH]c1=O
InChIInChI=1S/C5H6FN3O2/c1-9-5(11)7-4(10)3(2-6)8-9/h2H2,1H3,(H,7,10,11)
InChIKeyDNLSAYWVNARNOJ-UHFFFAOYSA-N
MW159.12 g/mol
LogP-1.06
Rot. Bonds1

About 6-(fluoromethyl)-2-methyl-1,2,4-triazine-3,5-dione

6-(fluoromethyl)-2-methyl-1,2,4-triazine-3,5-dione (PubChem CID 155363548) has the molecular formula C5H6FN3O2 and a molecular weight of 159.12 g/mol. Its IUPAC name is 6-(fluoromethyl)-2-methyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(fluoromethyl)-2-methyl-1,2,4-triazine-3,5-dione
PubChem CID155363548
Molecular FormulaC5H6FN3O2
Molecular Weight159.12 g/mol
Exact Mass159.04
IUPAC Name6-(fluoromethyl)-2-methyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(CF)c(=O)[nH]c1=O
InChIInChI=1S/C5H6FN3O2/c1-9-5(11)7-4(10)3(2-6)8-9/h2H2,1H3,(H,7,10,11)
InChIKeyDNLSAYWVNARNOJ-UHFFFAOYSA-N
XLogP-1.06
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.12
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Dimethyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 244943
6-(Fluoromethyl)-1,2,4-triazine-3,5(2h,4h)-dione
CID 263427
2-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
CID 244941
2-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
CID 244524
6-Methyl-2-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione
CID 51063156
6-Fluoro-2-methyl-1,2,4-triazine-3,5-dione
CID 58226946
2-Methyl-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione
CID 155363463
6-(Difluoromethyl)-2-methyl-1,2,4-triazine-3,5-dione
CID 155363464
2-Tert-butyl-6-(fluoromethyl)-1,2,4-triazine-3,5-dione
CID 178474674
2-Acetyl-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione
CID 21814366
2-acetyl-6-methyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 44725398
2-Ethyl-6-methyl-1,2,4-triazine-3,5-dione
CID 68364823

Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)-2-methyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(fluoromethyl)-2-methyl-1,2,4-triazine-3,5-dione (CID 155363548) is 6-(fluoromethyl)-2-methyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(fluoromethyl)-2-methyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(fluoromethyl)-2-methyl-1,2,4-triazine-3,5-dione is Cn1nc(CF)c(=O)[nH]c1=O.
What is the InChIKey of 6-(fluoromethyl)-2-methyl-1,2,4-triazine-3,5-dione?
The InChIKey is DNLSAYWVNARNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O2/c1-9-5(11)7-4(10)3(2-6)8-9/h2H2,1H3,(H,7,10,11).
What are the key properties of 6-(fluoromethyl)-2-methyl-1,2,4-triazine-3,5-dione?
6-(fluoromethyl)-2-methyl-1,2,4-triazine-3,5-dione has a molecular weight of 159.12 g/mol, XLogP of -1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-2-methyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 155363548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).