3-amino-N-methyl-5-(trifluoromethyl)-1,2,4-triazine-6-carbohydrazide

C6H7F3N6O — CID 178112277

IUPAC3-amino-N-methyl-5-(trifluoromethyl)-1,2,4-triazine-6-carbohydrazide
SMILESCN(N)C(=O)c1nnc(N)nc1C(F)(F)F
InChIInChI=1S/C6H7F3N6O/c1-15(11)4(16)2-3(6(7,8)9)12-5(10)14-13-2/h11H2,1H3,(H2,10,12,14)
InChIKeyUNDDLRLZEKVFGP-UHFFFAOYSA-N
MW236.16 g/mol
LogP-0.58
Rot. Bonds1

About 3-amino-N-methyl-5-(trifluoromethyl)-1,2,4-triazine-6-carbohydrazide

3-amino-N-methyl-5-(trifluoromethyl)-1,2,4-triazine-6-carbohydrazide (PubChem CID 178112277) has the molecular formula C6H7F3N6O and a molecular weight of 236.16 g/mol. Its IUPAC name is 3-amino-N-methyl-5-(trifluoromethyl)-1,2,4-triazine-6-carbohydrazide.

Molecular Properties

Compound Name3-amino-N-methyl-5-(trifluoromethyl)-1,2,4-triazine-6-carbohydrazide
PubChem CID178112277
Molecular FormulaC6H7F3N6O
Molecular Weight236.16 g/mol
Exact Mass236.06
IUPAC Name3-amino-N-methyl-5-(trifluoromethyl)-1,2,4-triazine-6-carbohydrazide
SMILESCN(N)C(=O)c1nnc(N)nc1C(F)(F)F
InChIInChI=1S/C6H7F3N6O/c1-15(11)4(16)2-3(6(7,8)9)12-5(10)14-13-2/h11H2,1H3,(H2,10,12,14)
InChIKeyUNDDLRLZEKVFGP-UHFFFAOYSA-N
XLogP-0.58
TPSA111.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-amino-N-methyl-5-(trifluoromethyl)-1,2,4-triazine-6-carbohydrazide 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 3-amino-N-methyl-5-(trifluoromethyl)-1,2,4-triazine-6-carbohydrazide?
The IUPAC name of 3-amino-N-methyl-5-(trifluoromethyl)-1,2,4-triazine-6-carbohydrazide (CID 178112277) is 3-amino-N-methyl-5-(trifluoromethyl)-1,2,4-triazine-6-carbohydrazide.
What is the SMILES notation for 3-amino-N-methyl-5-(trifluoromethyl)-1,2,4-triazine-6-carbohydrazide?
The canonical SMILES for 3-amino-N-methyl-5-(trifluoromethyl)-1,2,4-triazine-6-carbohydrazide is CN(N)C(=O)c1nnc(N)nc1C(F)(F)F.
What is the InChIKey of 3-amino-N-methyl-5-(trifluoromethyl)-1,2,4-triazine-6-carbohydrazide?
The InChIKey is UNDDLRLZEKVFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N6O/c1-15(11)4(16)2-3(6(7,8)9)12-5(10)14-13-2/h11H2,1H3,(H2,10,12,14).
What are the key properties of 3-amino-N-methyl-5-(trifluoromethyl)-1,2,4-triazine-6-carbohydrazide?
3-amino-N-methyl-5-(trifluoromethyl)-1,2,4-triazine-6-carbohydrazide has a molecular weight of 236.16 g/mol, XLogP of -0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-(trifluoromethyl)-1,2,4-triazine-6-carbohydrazide is sourced from PubChem (CID 178112277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).