N'-(2,2,2-trifluoroethyl)pyrimidine-5-carbohydrazide

C7H7F3N4O — CID 140545122

IUPACN'-(2,2,2-trifluoroethyl)pyrimidine-5-carbohydrazide
SMILESO=C(NNCC(F)(F)F)c1cncnc1
InChIInChI=1S/C7H7F3N4O/c8-7(9,10)3-13-14-6(15)5-1-11-4-12-2-5/h1-2,4,13H,3H2,(H,14,15)
InChIKeyRQMNHMXPEKXMSH-UHFFFAOYSA-N
MW220.15 g/mol
LogP0.27
Rot. Bonds3

About N'-(2,2,2-trifluoroethyl)pyrimidine-5-carbohydrazide

N'-(2,2,2-trifluoroethyl)pyrimidine-5-carbohydrazide (PubChem CID 140545122) has the molecular formula C7H7F3N4O and a molecular weight of 220.15 g/mol. Its IUPAC name is N'-(2,2,2-trifluoroethyl)pyrimidine-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2,2,2-trifluoroethyl)pyrimidine-5-carbohydrazide
PubChem CID140545122
Molecular FormulaC7H7F3N4O
Molecular Weight220.15 g/mol
Exact Mass220.06
IUPAC NameN'-(2,2,2-trifluoroethyl)pyrimidine-5-carbohydrazide
SMILESO=C(NNCC(F)(F)F)c1cncnc1
InChIInChI=1S/C7H7F3N4O/c8-7(9,10)3-13-14-6(15)5-1-11-4-12-2-5/h1-2,4,13H,3H2,(H,14,15)
InChIKeyRQMNHMXPEKXMSH-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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Related Compounds

4-Amino-5-pyrimidinecarboxamide
CID 818212
Pyrimidine-5-carboxamide
CID 351819
2-(Trifluoromethyl)pyrimidine-5-carboxamide
CID 68423044
2-(4-methylpiperazin-1-yl)-N'-propylpyrimidine-5-carbohydrazide
CID 168297156
Pyrimidine, 5-carbamoyl-2-methylamino-
CID 69179728
2-Aminopyrimidine-5-carboxamide
CID 254895
5-Pyrimidinecarboxamide, 2-(dimethylamino)-
CID 96915
2,4-Diaminopyrimidine-5-carboxamide
CID 12429303
1,2-Dihydro-3H-pyrazolo(3,4-d)pyrimidin-3-one
CID 45080224
5-Pyrimidinecarboxylic acid, 4-amino-2-methyl-, hydrazide
CID 86086230
4-Amino-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 33695484
2-Fluoropyrimidine-5-carboxamide
CID 17804397

Frequently Asked Questions

What is the IUPAC name of N'-(2,2,2-trifluoroethyl)pyrimidine-5-carbohydrazide?
The IUPAC name of N'-(2,2,2-trifluoroethyl)pyrimidine-5-carbohydrazide (CID 140545122) is N'-(2,2,2-trifluoroethyl)pyrimidine-5-carbohydrazide.
What is the SMILES notation for N'-(2,2,2-trifluoroethyl)pyrimidine-5-carbohydrazide?
The canonical SMILES for N'-(2,2,2-trifluoroethyl)pyrimidine-5-carbohydrazide is O=C(NNCC(F)(F)F)c1cncnc1.
What is the InChIKey of N'-(2,2,2-trifluoroethyl)pyrimidine-5-carbohydrazide?
The InChIKey is RQMNHMXPEKXMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O/c8-7(9,10)3-13-14-6(15)5-1-11-4-12-2-5/h1-2,4,13H,3H2,(H,14,15).
What are the key properties of N'-(2,2,2-trifluoroethyl)pyrimidine-5-carbohydrazide?
N'-(2,2,2-trifluoroethyl)pyrimidine-5-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-5-carbohydrazide is sourced from PubChem (CID 140545122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).