3-(4-pentan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine

C14H21F3N4 — CID 138626954

IUPAC3-(4-pentan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
SMILESCCCC(C)N1CCN(c2cc(C(F)(F)F)cnn2)CC1
InChIInChI=1S/C14H21F3N4/c1-3-4-11(2)20-5-7-21(8-6-20)13-9-12(10-18-19-13)14(15,16)17/h9-11H,3-8H2,1-2H3
InChIKeyNVZQKEQXSSMIST-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.81
Rot. Bonds4

About 3-(4-pentan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine

3-(4-pentan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine (PubChem CID 138626954) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-(4-pentan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-(4-pentan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
PubChem CID138626954
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Name3-(4-pentan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
SMILESCCCC(C)N1CCN(c2cc(C(F)(F)F)cnn2)CC1
InChIInChI=1S/C14H21F3N4/c1-3-4-11(2)20-5-7-21(8-6-20)13-9-12(10-18-19-13)14(15,16)17/h9-11H,3-8H2,1-2H3
InChIKeyNVZQKEQXSSMIST-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-pentan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine?
The IUPAC name of 3-(4-pentan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine (CID 138626954) is 3-(4-pentan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-(4-pentan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-(4-pentan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine is CCCC(C)N1CCN(c2cc(C(F)(F)F)cnn2)CC1.
What is the InChIKey of 3-(4-pentan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine?
The InChIKey is NVZQKEQXSSMIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-3-4-11(2)20-5-7-21(8-6-20)13-9-12(10-18-19-13)14(15,16)17/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-(4-pentan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine?
3-(4-pentan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine has a molecular weight of 302.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pentan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine is sourced from PubChem (CID 138626954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).