3-amino-6-(trifluoromethyl)pyrazine-2-carbohydrazide

C6H6F3N5O — CID 174730169

IUPAC3-amino-6-(trifluoromethyl)pyrazine-2-carbohydrazide
SMILESNNC(=O)c1nc(C(F)(F)F)cnc1N
InChIInChI=1S/C6H6F3N5O/c7-6(8,9)2-1-12-4(10)3(13-2)5(15)14-11/h1H,11H2,(H2,10,12)(H,14,15)
InChIKeyMCDXNSGDJWGHQN-UHFFFAOYSA-N
MW221.14 g/mol
LogP-0.32
Rot. Bonds1

About 3-amino-6-(trifluoromethyl)pyrazine-2-carbohydrazide

3-amino-6-(trifluoromethyl)pyrazine-2-carbohydrazide (PubChem CID 174730169) has the molecular formula C6H6F3N5O and a molecular weight of 221.14 g/mol. Its IUPAC name is 3-amino-6-(trifluoromethyl)pyrazine-2-carbohydrazide.

Molecular Properties

Compound Name3-amino-6-(trifluoromethyl)pyrazine-2-carbohydrazide
PubChem CID174730169
Molecular FormulaC6H6F3N5O
Molecular Weight221.14 g/mol
Exact Mass221.05
IUPAC Name3-amino-6-(trifluoromethyl)pyrazine-2-carbohydrazide
SMILESNNC(=O)c1nc(C(F)(F)F)cnc1N
InChIInChI=1S/C6H6F3N5O/c7-6(8,9)2-1-12-4(10)3(13-2)5(15)14-11/h1H,11H2,(H2,10,12)(H,14,15)
InChIKeyMCDXNSGDJWGHQN-UHFFFAOYSA-N
XLogP-0.32
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-6-(trifluoromethyl)pyrazine-2-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-6-(trifluoromethyl)pyrazine-2-carbohydrazide?
The IUPAC name of 3-amino-6-(trifluoromethyl)pyrazine-2-carbohydrazide (CID 174730169) is 3-amino-6-(trifluoromethyl)pyrazine-2-carbohydrazide.
What is the SMILES notation for 3-amino-6-(trifluoromethyl)pyrazine-2-carbohydrazide?
The canonical SMILES for 3-amino-6-(trifluoromethyl)pyrazine-2-carbohydrazide is NNC(=O)c1nc(C(F)(F)F)cnc1N.
What is the InChIKey of 3-amino-6-(trifluoromethyl)pyrazine-2-carbohydrazide?
The InChIKey is MCDXNSGDJWGHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N5O/c7-6(8,9)2-1-12-4(10)3(13-2)5(15)14-11/h1H,11H2,(H2,10,12)(H,14,15).
What are the key properties of 3-amino-6-(trifluoromethyl)pyrazine-2-carbohydrazide?
3-amino-6-(trifluoromethyl)pyrazine-2-carbohydrazide has a molecular weight of 221.14 g/mol, XLogP of -0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(trifluoromethyl)pyrazine-2-carbohydrazide is sourced from PubChem (CID 174730169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).