4-[[6-(cyclohexylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol

C19H23N5O — CID 59338866

IUPAC4-[[6-(cyclohexylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
SMILESOc1ccc(Cc2nnc3ccc(NCC4CCCCC4)nn23)cc1
InChIInChI=1S/C19H23N5O/c25-16-8-6-14(7-9-16)12-19-22-21-18-11-10-17(23-24(18)19)20-13-15-4-2-1-3-5-15/h6-11,15,25H,1-5,12-13H2,(H,20,23)
InChIKeyHZYKLEJVWLTPAV-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.41
Rot. Bonds5

About 4-[[6-(cyclohexylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol

4-[[6-(cyclohexylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol (PubChem CID 59338866) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-[[6-(cyclohexylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[6-(cyclohexylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
PubChem CID59338866
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name4-[[6-(cyclohexylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
SMILESOc1ccc(Cc2nnc3ccc(NCC4CCCCC4)nn23)cc1
InChIInChI=1S/C19H23N5O/c25-16-8-6-14(7-9-16)12-19-22-21-18-11-10-17(23-24(18)19)20-13-15-4-2-1-3-5-15/h6-11,15,25H,1-5,12-13H2,(H,20,23)
InChIKeyHZYKLEJVWLTPAV-UHFFFAOYSA-N
XLogP3.41
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[6-(cyclohexylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol with MolForge

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Related Compounds

4-((6-Phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)phenol
CID 24901696
Phenol, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-
CID 3071213
4-{2-[(6-Methyl[1,2,4]triazolo[4,3-B]pyridazin-8-Yl)amino]ethyl}phenol
CID 86276157
4-((6-Phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)phenol
CID 24901698
(E)-4-((2-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)hydrazono)methyl)phenol
CID 135630269
N-cyclopropyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 10401467
4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 57691336
2,6-Dimethyl-4-[2-(2-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol
CID 71453547
4-[7-Amino-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]phenol
CID 135470411
4-[6-[(4-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 135961524
4-(2-Anilino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylphenol
CID 141301379
4-[2-[(6-methyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-yl)amino]ethyl]phenol
CID 73167568

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(cyclohexylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
The IUPAC name of 4-[[6-(cyclohexylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol (CID 59338866) is 4-[[6-(cyclohexylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol.
What is the SMILES notation for 4-[[6-(cyclohexylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
The canonical SMILES for 4-[[6-(cyclohexylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol is Oc1ccc(Cc2nnc3ccc(NCC4CCCCC4)nn23)cc1.
What is the InChIKey of 4-[[6-(cyclohexylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
The InChIKey is HZYKLEJVWLTPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c25-16-8-6-14(7-9-16)12-19-22-21-18-11-10-17(23-24(18)19)20-13-15-4-2-1-3-5-15/h6-11,15,25H,1-5,12-13H2,(H,20,23).
What are the key properties of 4-[[6-(cyclohexylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
4-[[6-(cyclohexylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol has a molecular weight of 337.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(cyclohexylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol is sourced from PubChem (CID 59338866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).