N-cyclopentyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide

C18H16F3N5O — CID 134792857

IUPACN-cyclopentyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESO=C(NC1CCCC1)c1cc(-c2cccc(C(F)(F)F)c2)c2nncn2n1
InChIInChI=1S/C18H16F3N5O/c19-18(20,21)12-5-3-4-11(8-12)14-9-15(25-26-10-22-24-16(14)26)17(27)23-13-6-1-2-7-13/h3-5,8-10,13H,1-2,6-7H2,(H,23,27)
InChIKeyKOJHBTMUGKSDMQ-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.48
Rot. Bonds3

About N-cyclopentyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide

N-cyclopentyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (PubChem CID 134792857) has the molecular formula C18H16F3N5O and a molecular weight of 375.35 g/mol. Its IUPAC name is N-cyclopentyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
PubChem CID134792857
Molecular FormulaC18H16F3N5O
Molecular Weight375.35 g/mol
Exact Mass375.13
IUPAC NameN-cyclopentyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESO=C(NC1CCCC1)c1cc(-c2cccc(C(F)(F)F)c2)c2nncn2n1
InChIInChI=1S/C18H16F3N5O/c19-18(20,21)12-5-3-4-11(8-12)14-9-15(25-26-10-22-24-16(14)26)17(27)23-13-6-1-2-7-13/h3-5,8-10,13H,1-2,6-7H2,(H,23,27)
InChIKeyKOJHBTMUGKSDMQ-UHFFFAOYSA-N
XLogP3.48
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 46104689
N-cyclopentyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 42690054
N-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109112395
N-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 168909107
6-N-cyclohexyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109095374
N-(cyclohexylmethyl)-8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
CID 134799547
N-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109110127
N-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 154654049
N-cyclohexyl-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 9071191
N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336117
6-N-cyclopropyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093945
4-N-cyclopentyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109080812

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The IUPAC name of N-cyclopentyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (CID 134792857) is N-cyclopentyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.
What is the SMILES notation for N-cyclopentyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The canonical SMILES for N-cyclopentyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is O=C(NC1CCCC1)c1cc(-c2cccc(C(F)(F)F)c2)c2nncn2n1.
What is the InChIKey of N-cyclopentyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The InChIKey is KOJHBTMUGKSDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O/c19-18(20,21)12-5-3-4-11(8-12)14-9-15(25-26-10-22-24-16(14)26)17(27)23-13-6-1-2-7-13/h3-5,8-10,13H,1-2,6-7H2,(H,23,27).
What are the key properties of N-cyclopentyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
N-cyclopentyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide has a molecular weight of 375.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is sourced from PubChem (CID 134792857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).