N-(cyclohexylmethyl)-8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide

C19H20FN5O — CID 134799547

IUPACN-(cyclohexylmethyl)-8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESO=C(NCC1CCCCC1)c1cc(-c2ccc(F)cc2)c2nncn2n1
InChIInChI=1S/C19H20FN5O/c20-15-8-6-14(7-9-15)16-10-17(24-25-12-22-23-18(16)25)19(26)21-11-13-4-2-1-3-5-13/h6-10,12-13H,1-5,11H2,(H,21,26)
InChIKeyAYNVMPUOTJBVDE-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.24
Rot. Bonds4

About N-(cyclohexylmethyl)-8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide

N-(cyclohexylmethyl)-8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (PubChem CID 134799547) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
PubChem CID134799547
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC NameN-(cyclohexylmethyl)-8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESO=C(NCC1CCCCC1)c1cc(-c2ccc(F)cc2)c2nncn2n1
InChIInChI=1S/C19H20FN5O/c20-15-8-6-14(7-9-15)16-10-17(24-25-12-22-23-18(16)25)19(26)21-11-13-4-2-1-3-5-13/h6-10,12-13H,1-5,11H2,(H,21,26)
InChIKeyAYNVMPUOTJBVDE-UHFFFAOYSA-N
XLogP3.24
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
CID 134792857
N-(cyclohexylmethyl)-2-(4-fluorophenyl)acetamide
CID 83278373
N-(cyclobutylmethyl)-2-(4-fluorophenyl)acetamide
CID 94168873
N-(cyclohexylmethyl)-3-(3,4-difluorophenyl)-1-ethylpyrazole-5-carboxamide
CID 46105464
2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide
CID 43371580
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide
CID 115496783
6-N-(cyclohexylmethyl)pyridine-2,6-dicarboxamide
CID 139664789
5-[[cyclopentyl-(4-fluorobenzoyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
CID 23852983
N-(cyclohexylmethyl)-4-(methylamino)pyridine-2-carboxamide
CID 62169507
N-(cyclobutylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 141463742
N-(cyclohexylmethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051225

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (CID 134799547) is N-(cyclohexylmethyl)-8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is O=C(NCC1CCCCC1)c1cc(-c2ccc(F)cc2)c2nncn2n1.
What is the InChIKey of N-(cyclohexylmethyl)-8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The InChIKey is AYNVMPUOTJBVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c20-15-8-6-14(7-9-15)16-10-17(24-25-12-22-23-18(16)25)19(26)21-11-13-4-2-1-3-5-13/h6-10,12-13H,1-5,11H2,(H,21,26).
What are the key properties of N-(cyclohexylmethyl)-8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
N-(cyclohexylmethyl)-8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is sourced from PubChem (CID 134799547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).