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

C10H14F3N5 — CID 80924067

IUPAC[6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine
SMILESNNc1cc(N2CCCC(C(F)(F)F)C2)ncn1
InChIInChI=1S/C10H14F3N5/c11-10(12,13)7-2-1-3-18(5-7)9-4-8(17-14)15-6-16-9/h4,6-7H,1-3,5,14H2,(H,15,16,17)
InChIKeyKHYCNDMICDLOCJ-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.54
Rot. Bonds2

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

[6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine (PubChem CID 80924067) has the molecular formula C10H14F3N5 and a molecular weight of 261.25 g/mol. Its IUPAC name is [6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine
PubChem CID80924067
Molecular FormulaC10H14F3N5
Molecular Weight261.25 g/mol
Exact Mass261.12
IUPAC Name[6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine
SMILESNNc1cc(N2CCCC(C(F)(F)F)C2)ncn1
InChIInChI=1S/C10H14F3N5/c11-10(12,13)7-2-1-3-18(5-7)9-4-8(17-14)15-6-16-9/h4,6-7H,1-3,5,14H2,(H,15,16,17)
InChIKeyKHYCNDMICDLOCJ-UHFFFAOYSA-N
XLogP1.54
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.54
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 [6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine (CID 80924067) is [6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine is NNc1cc(N2CCCC(C(F)(F)F)C2)ncn1.
What is the InChIKey of [6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine?
The InChIKey is KHYCNDMICDLOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5/c11-10(12,13)7-2-1-3-18(5-7)9-4-8(17-14)15-6-16-9/h4,6-7H,1-3,5,14H2,(H,15,16,17).
What are the key properties of [6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine?
[6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine has a molecular weight of 261.25 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80924067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).