2-(trifluoromethyl)pyrimidine-4-carbohydrazide

C6H5F3N4O — CID 90100957

IUPAC2-(trifluoromethyl)pyrimidine-4-carbohydrazide
SMILESNNC(=O)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C6H5F3N4O/c7-6(8,9)5-11-2-1-3(12-5)4(14)13-10/h1-2H,10H2,(H,13,14)
InChIKeyWAVZSVZGKFEWFD-UHFFFAOYSA-N
MW206.13 g/mol
LogP0.10
Rot. Bonds1

About 2-(trifluoromethyl)pyrimidine-4-carbohydrazide

2-(trifluoromethyl)pyrimidine-4-carbohydrazide (PubChem CID 90100957) has the molecular formula C6H5F3N4O and a molecular weight of 206.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)pyrimidine-4-carbohydrazide.

Molecular Properties

Compound Name2-(trifluoromethyl)pyrimidine-4-carbohydrazide
PubChem CID90100957
Molecular FormulaC6H5F3N4O
Molecular Weight206.13 g/mol
Exact Mass206.04
IUPAC Name2-(trifluoromethyl)pyrimidine-4-carbohydrazide
SMILESNNC(=O)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C6H5F3N4O/c7-6(8,9)5-11-2-1-3(12-5)4(14)13-10/h1-2H,10H2,(H,13,14)
InChIKeyWAVZSVZGKFEWFD-UHFFFAOYSA-N
XLogP0.10
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)pyrimidine-4-carbohydrazide?
The IUPAC name of 2-(trifluoromethyl)pyrimidine-4-carbohydrazide (CID 90100957) is 2-(trifluoromethyl)pyrimidine-4-carbohydrazide.
What is the SMILES notation for 2-(trifluoromethyl)pyrimidine-4-carbohydrazide?
The canonical SMILES for 2-(trifluoromethyl)pyrimidine-4-carbohydrazide is NNC(=O)c1ccnc(C(F)(F)F)n1.
What is the InChIKey of 2-(trifluoromethyl)pyrimidine-4-carbohydrazide?
The InChIKey is WAVZSVZGKFEWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N4O/c7-6(8,9)5-11-2-1-3(12-5)4(14)13-10/h1-2H,10H2,(H,13,14).
What are the key properties of 2-(trifluoromethyl)pyrimidine-4-carbohydrazide?
2-(trifluoromethyl)pyrimidine-4-carbohydrazide has a molecular weight of 206.13 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)pyrimidine-4-carbohydrazide is sourced from PubChem (CID 90100957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).