N-cycloheptyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide

C17H22F3N3O2 — CID 55876198

IUPACN-cycloheptyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)NC1CCCCCC1
InChIInChI=1S/C17H22F3N3O2/c18-17(19,20)13-9-14(11-7-8-11)22-23(16(13)25)10-15(24)21-12-5-3-1-2-4-6-12/h9,11-12H,1-8,10H2,(H,21,24)
InChIKeyQTTSEJMPOKXWDJ-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.98
Rot. Bonds4

About N-cycloheptyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide

N-cycloheptyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide (PubChem CID 55876198) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is N-cycloheptyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
PubChem CID55876198
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC NameN-cycloheptyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)NC1CCCCCC1
InChIInChI=1S/C17H22F3N3O2/c18-17(19,20)13-9-14(11-7-8-11)22-23(16(13)25)10-15(24)21-12-5-3-1-2-4-6-12/h9,11-12H,1-8,10H2,(H,21,24)
InChIKeyQTTSEJMPOKXWDJ-UHFFFAOYSA-N
XLogP2.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide (CID 55876198) is N-cycloheptyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide is O=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide?
The InChIKey is QTTSEJMPOKXWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c18-17(19,20)13-9-14(11-7-8-11)22-23(16(13)25)10-15(24)21-12-5-3-1-2-4-6-12/h9,11-12H,1-8,10H2,(H,21,24).
What are the key properties of N-cycloheptyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide?
N-cycloheptyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide has a molecular weight of 357.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide is sourced from PubChem (CID 55876198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).