N'-pyrimidin-2-yl-3-(trifluoromethyl)cyclohexane-1-carbohydrazide

C12H15F3N4O — CID 47282473

IUPACN'-pyrimidin-2-yl-3-(trifluoromethyl)cyclohexane-1-carbohydrazide
SMILESO=C(NNc1ncccn1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)9-4-1-3-8(7-9)10(20)18-19-11-16-5-2-6-17-11/h2,5-6,8-9H,1,3-4,7H2,(H,18,20)(H,16,17,19)
InChIKeyRPPYDHGZJZWGMU-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.29
Rot. Bonds3

About N'-pyrimidin-2-yl-3-(trifluoromethyl)cyclohexane-1-carbohydrazide

N'-pyrimidin-2-yl-3-(trifluoromethyl)cyclohexane-1-carbohydrazide (PubChem CID 47282473) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is N'-pyrimidin-2-yl-3-(trifluoromethyl)cyclohexane-1-carbohydrazide.

Molecular Properties

Compound NameN'-pyrimidin-2-yl-3-(trifluoromethyl)cyclohexane-1-carbohydrazide
PubChem CID47282473
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC NameN'-pyrimidin-2-yl-3-(trifluoromethyl)cyclohexane-1-carbohydrazide
SMILESO=C(NNc1ncccn1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)9-4-1-3-8(7-9)10(20)18-19-11-16-5-2-6-17-11/h2,5-6,8-9H,1,3-4,7H2,(H,18,20)(H,16,17,19)
InChIKeyRPPYDHGZJZWGMU-UHFFFAOYSA-N
XLogP2.29
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.29
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'-pyrimidin-2-yl-3-(trifluoromethyl)cyclohexane-1-carbohydrazide?
The IUPAC name of N'-pyrimidin-2-yl-3-(trifluoromethyl)cyclohexane-1-carbohydrazide (CID 47282473) is N'-pyrimidin-2-yl-3-(trifluoromethyl)cyclohexane-1-carbohydrazide.
What is the SMILES notation for N'-pyrimidin-2-yl-3-(trifluoromethyl)cyclohexane-1-carbohydrazide?
The canonical SMILES for N'-pyrimidin-2-yl-3-(trifluoromethyl)cyclohexane-1-carbohydrazide is O=C(NNc1ncccn1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N'-pyrimidin-2-yl-3-(trifluoromethyl)cyclohexane-1-carbohydrazide?
The InChIKey is RPPYDHGZJZWGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c13-12(14,15)9-4-1-3-8(7-9)10(20)18-19-11-16-5-2-6-17-11/h2,5-6,8-9H,1,3-4,7H2,(H,18,20)(H,16,17,19).
What are the key properties of N'-pyrimidin-2-yl-3-(trifluoromethyl)cyclohexane-1-carbohydrazide?
N'-pyrimidin-2-yl-3-(trifluoromethyl)cyclohexane-1-carbohydrazide has a molecular weight of 288.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pyrimidin-2-yl-3-(trifluoromethyl)cyclohexane-1-carbohydrazide is sourced from PubChem (CID 47282473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).