[2-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine

C12H18F3N5 — CID 80937163

IUPAC[2-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)cc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C12H18F3N5/c1-2-9-17-10(19-16)6-11(18-9)20-5-3-4-8(7-20)12(13,14)15/h6,8H,2-5,7,16H2,1H3,(H,17,18,19)
InChIKeyKMEPLGNFKOSHNH-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.10
Rot. Bonds3

About [2-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine

[2-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine (PubChem CID 80937163) has the molecular formula C12H18F3N5 and a molecular weight of 289.31 g/mol. Its IUPAC name is [2-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine
PubChem CID80937163
Molecular FormulaC12H18F3N5
Molecular Weight289.31 g/mol
Exact Mass289.15
IUPAC Name[2-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)cc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C12H18F3N5/c1-2-9-17-10(19-16)6-11(18-9)20-5-3-4-8(7-20)12(13,14)15/h6,8H,2-5,7,16H2,1H3,(H,17,18,19)
InChIKeyKMEPLGNFKOSHNH-UHFFFAOYSA-N
XLogP2.10
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine (CID 80937163) is [2-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine is CCc1nc(NN)cc(N2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of [2-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine?
The InChIKey is KMEPLGNFKOSHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5/c1-2-9-17-10(19-16)6-11(18-9)20-5-3-4-8(7-20)12(13,14)15/h6,8H,2-5,7,16H2,1H3,(H,17,18,19).
What are the key properties of [2-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine?
[2-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine has a molecular weight of 289.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80937163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).