5-(trifluoromethyl)pyrimidine-2-carbohydrazide

C6H5F3N4O — CID 133058376

IUPAC5-(trifluoromethyl)pyrimidine-2-carbohydrazide
SMILESNNC(=O)c1ncc(C(F)(F)F)cn1
InChIInChI=1S/C6H5F3N4O/c7-6(8,9)3-1-11-4(12-2-3)5(14)13-10/h1-2H,10H2,(H,13,14)
InChIKeyUJRQQSUWUNOVPI-UHFFFAOYSA-N
MW206.13 g/mol
LogP0.10
Rot. Bonds1

About 5-(trifluoromethyl)pyrimidine-2-carbohydrazide

5-(trifluoromethyl)pyrimidine-2-carbohydrazide (PubChem CID 133058376) has the molecular formula C6H5F3N4O and a molecular weight of 206.13 g/mol. Its IUPAC name is 5-(trifluoromethyl)pyrimidine-2-carbohydrazide.

Molecular Properties

Compound Name5-(trifluoromethyl)pyrimidine-2-carbohydrazide
PubChem CID133058376
Molecular FormulaC6H5F3N4O
Molecular Weight206.13 g/mol
Exact Mass206.04
IUPAC Name5-(trifluoromethyl)pyrimidine-2-carbohydrazide
SMILESNNC(=O)c1ncc(C(F)(F)F)cn1
InChIInChI=1S/C6H5F3N4O/c7-6(8,9)3-1-11-4(12-2-3)5(14)13-10/h1-2H,10H2,(H,13,14)
InChIKeyUJRQQSUWUNOVPI-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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Related Compounds

Pyrimidine-2-carbohydrazide
CID 11182639
5-Fluoropyrimidine-2-carbohydrazide
CID 55282020
4-Fluoro-5-(trifluoromethyl)pyrimidine-2-carboxamide
CID 69846719
2-(2,2,2-Trifluoroacetyl)pyrimidine-5-carboximidamide
CID 91329582
5-Fluoropyrimidine-2-carboxamide
CID 129916819
N'-(5-bromopyrimidin-2-yl)-2,2,2-trifluoroacetohydrazide
CID 134555612
N'-(2,2,2-trifluoroethyl)pyrimidine-5-carbohydrazide
CID 140545122
N'-(2,2,2-trifluoroethyl)pyrimidine-2-carbohydrazide
CID 140729017
4-Chloro-5-(trifluoromethyl)pyrimidine-2-carboxamide
CID 142277281
2-[[5-(Trifluoromethyl)pyrimidin-2-yl]amino]acetamide
CID 142675420
2-amino-N'-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide
CID 149870284
4-(Methylamino)-5-(trifluoromethyl)pyrimidine-2-carboxamide
CID 150841821

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)pyrimidine-2-carbohydrazide?
The IUPAC name of 5-(trifluoromethyl)pyrimidine-2-carbohydrazide (CID 133058376) is 5-(trifluoromethyl)pyrimidine-2-carbohydrazide.
What is the SMILES notation for 5-(trifluoromethyl)pyrimidine-2-carbohydrazide?
The canonical SMILES for 5-(trifluoromethyl)pyrimidine-2-carbohydrazide is NNC(=O)c1ncc(C(F)(F)F)cn1.
What is the InChIKey of 5-(trifluoromethyl)pyrimidine-2-carbohydrazide?
The InChIKey is UJRQQSUWUNOVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N4O/c7-6(8,9)3-1-11-4(12-2-3)5(14)13-10/h1-2H,10H2,(H,13,14).
What are the key properties of 5-(trifluoromethyl)pyrimidine-2-carbohydrazide?
5-(trifluoromethyl)pyrimidine-2-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 5-(trifluoromethyl)pyrimidine-2-carbohydrazide is sourced from PubChem (CID 133058376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).