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

C11H12FN5O2 — CID 63359236

IUPAC6-[[4-(aminomethyl)-2-fluorophenyl]methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESNCc1ccc(CNc2n[nH]c(=O)[nH]c2=O)c(F)c1
InChIInChI=1S/C11H12FN5O2/c12-8-3-6(4-13)1-2-7(8)5-14-9-10(18)15-11(19)17-16-9/h1-3H,4-5,13H2,(H,14,16)(H2,15,17,18,19)
InChIKeyGAUOZNRNAVFWKB-UHFFFAOYSA-N
MW265.25 g/mol
LogP-0.33
Rot. Bonds4

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

6-[[4-(aminomethyl)-2-fluorophenyl]methylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 63359236) has the molecular formula C11H12FN5O2 and a molecular weight of 265.25 g/mol. Its IUPAC name is 6-[[4-(aminomethyl)-2-fluorophenyl]methylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[4-(aminomethyl)-2-fluorophenyl]methylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID63359236
Molecular FormulaC11H12FN5O2
Molecular Weight265.25 g/mol
Exact Mass265.10
IUPAC Name6-[[4-(aminomethyl)-2-fluorophenyl]methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESNCc1ccc(CNc2n[nH]c(=O)[nH]c2=O)c(F)c1
InChIInChI=1S/C11H12FN5O2/c12-8-3-6(4-13)1-2-7(8)5-14-9-10(18)15-11(19)17-16-9/h1-3H,4-5,13H2,(H,14,16)(H2,15,17,18,19)
InChIKeyGAUOZNRNAVFWKB-UHFFFAOYSA-N
XLogP-0.33
TPSA116.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-[[4-(aminomethyl)-2-fluorophenyl]methylamino]-2H-1,2,4-triazine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(aminomethyl)-2-fluorophenyl]methylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[4-(aminomethyl)-2-fluorophenyl]methylamino]-2H-1,2,4-triazine-3,5-dione (CID 63359236) is 6-[[4-(aminomethyl)-2-fluorophenyl]methylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[4-(aminomethyl)-2-fluorophenyl]methylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[4-(aminomethyl)-2-fluorophenyl]methylamino]-2H-1,2,4-triazine-3,5-dione is NCc1ccc(CNc2n[nH]c(=O)[nH]c2=O)c(F)c1.
What is the InChIKey of 6-[[4-(aminomethyl)-2-fluorophenyl]methylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is GAUOZNRNAVFWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O2/c12-8-3-6(4-13)1-2-7(8)5-14-9-10(18)15-11(19)17-16-9/h1-3H,4-5,13H2,(H,14,16)(H2,15,17,18,19).
What are the key properties of 6-[[4-(aminomethyl)-2-fluorophenyl]methylamino]-2H-1,2,4-triazine-3,5-dione?
6-[[4-(aminomethyl)-2-fluorophenyl]methylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 265.25 g/mol, XLogP of -0.33, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(aminomethyl)-2-fluorophenyl]methylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 63359236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).