2-amino-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one

C4H6F2N4O — CID 156807430

IUPAC2-amino-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one
SMILESCc1nn(N)c(=O)n1C(F)F
InChIInChI=1S/C4H6F2N4O/c1-2-8-10(7)4(11)9(2)3(5)6/h3H,7H2,1H3
InChIKeyNZDYRDWGNLVBEP-UHFFFAOYSA-N
MW164.12 g/mol
LogP-0.54
Rot. Bonds1

About 2-amino-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one

2-amino-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one (PubChem CID 156807430) has the molecular formula C4H6F2N4O and a molecular weight of 164.12 g/mol. Its IUPAC name is 2-amino-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-amino-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one
PubChem CID156807430
Molecular FormulaC4H6F2N4O
Molecular Weight164.12 g/mol
Exact Mass164.05
IUPAC Name2-amino-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one
SMILESCc1nn(N)c(=O)n1C(F)F
InChIInChI=1S/C4H6F2N4O/c1-2-8-10(7)4(11)9(2)3(5)6/h3H,7H2,1H3
InChIKeyNZDYRDWGNLVBEP-UHFFFAOYSA-N
XLogP-0.54
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one with MolForge

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

Launch Full Analysis

Related Compounds

4-(difluoromethyl)-3-methyl-1H-1,2,4-triazol-5-one
CID 18315070
4-methyl-5-trifluoromethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 11105735
4-Amino-2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 20798640
5-(Difluoromethyl)-2,4-dimethyl-1,2,4-triazol-3-one
CID 22091024
2,5-Dimethyl-4-(difluoromethyl)-3H-1,2,4-triazole-3-one
CID 22950811
4-Amino-5-(difluoromethyl)-2-methyl-1,2,4-triazol-3-one
CID 59945483
4-Methyl-5-trifluoromethyl-2,4-dihydro-[1.2.4]triazol-3-one hydroiodide
CID 69742390
4-(fluoromethyl)-3-methyl-1H-1,2,4-triazol-5-one
CID 89205969
2-Amino-4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 130293488
3-(difluoromethyl)-4-ethyl-1H-1,2,4-triazol-5-one
CID 141034589
3-methyl-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953691
3-(difluoromethyl)-4-methyl-1H-1,2,4-triazol-5-one
CID 154177824

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one?
The IUPAC name of 2-amino-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one (CID 156807430) is 2-amino-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-amino-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 2-amino-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one is Cc1nn(N)c(=O)n1C(F)F.
What is the InChIKey of 2-amino-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one?
The InChIKey is NZDYRDWGNLVBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2N4O/c1-2-8-10(7)4(11)9(2)3(5)6/h3H,7H2,1H3.
What are the key properties of 2-amino-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one?
2-amino-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one has a molecular weight of 164.12 g/mol, XLogP of -0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 156807430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).