N'-(2,2,2-trifluoroethyl)pyrimidine-2-carbohydrazide

C7H7F3N4O — CID 140729017

IUPACN'-(2,2,2-trifluoroethyl)pyrimidine-2-carbohydrazide
SMILESO=C(NNCC(F)(F)F)c1ncccn1
InChIInChI=1S/C7H7F3N4O/c8-7(9,10)4-13-14-6(15)5-11-2-1-3-12-5/h1-3,13H,4H2,(H,14,15)
InChIKeyBFEIGSJSIDLDET-UHFFFAOYSA-N
MW220.15 g/mol
LogP0.27
Rot. Bonds3

About N'-(2,2,2-trifluoroethyl)pyrimidine-2-carbohydrazide

N'-(2,2,2-trifluoroethyl)pyrimidine-2-carbohydrazide (PubChem CID 140729017) has the molecular formula C7H7F3N4O and a molecular weight of 220.15 g/mol. Its IUPAC name is N'-(2,2,2-trifluoroethyl)pyrimidine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2,2,2-trifluoroethyl)pyrimidine-2-carbohydrazide
PubChem CID140729017
Molecular FormulaC7H7F3N4O
Molecular Weight220.15 g/mol
Exact Mass220.06
IUPAC NameN'-(2,2,2-trifluoroethyl)pyrimidine-2-carbohydrazide
SMILESO=C(NNCC(F)(F)F)c1ncccn1
InChIInChI=1S/C7H7F3N4O/c8-7(9,10)4-13-14-6(15)5-11-2-1-3-12-5/h1-3,13H,4H2,(H,14,15)
InChIKeyBFEIGSJSIDLDET-UHFFFAOYSA-N
XLogP0.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2,2-trifluoroethyl)pyrimidine-2-carbohydrazide?
The IUPAC name of N'-(2,2,2-trifluoroethyl)pyrimidine-2-carbohydrazide (CID 140729017) is N'-(2,2,2-trifluoroethyl)pyrimidine-2-carbohydrazide.
What is the SMILES notation for N'-(2,2,2-trifluoroethyl)pyrimidine-2-carbohydrazide?
The canonical SMILES for N'-(2,2,2-trifluoroethyl)pyrimidine-2-carbohydrazide is O=C(NNCC(F)(F)F)c1ncccn1.
What is the InChIKey of N'-(2,2,2-trifluoroethyl)pyrimidine-2-carbohydrazide?
The InChIKey is BFEIGSJSIDLDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O/c8-7(9,10)4-13-14-6(15)5-11-2-1-3-12-5/h1-3,13H,4H2,(H,14,15).
What are the key properties of N'-(2,2,2-trifluoroethyl)pyrimidine-2-carbohydrazide?
N'-(2,2,2-trifluoroethyl)pyrimidine-2-carbohydrazide has a molecular weight of 220.15 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2,2-trifluoroethyl)pyrimidine-2-carbohydrazide is sourced from PubChem (CID 140729017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).