6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine

C19H20N8O — CID 66659658

IUPAC6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1cnc(COc2nn3c(-c4ccccc4)nnc3cc2N2CCCC2)n1
InChIInChI=1S/C19H20N8O/c1-25-13-20-16(23-25)12-28-19-15(26-9-5-6-10-26)11-17-21-22-18(27(17)24-19)14-7-3-2-4-8-14/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3
InChIKeyNABBTMMFXIVNLD-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.10
Rot. Bonds5

About 6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine

6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 66659658) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is 6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID66659658
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1cnc(COc2nn3c(-c4ccccc4)nnc3cc2N2CCCC2)n1
InChIInChI=1S/C19H20N8O/c1-25-13-20-16(23-25)12-28-19-15(26-9-5-6-10-26)11-17-21-22-18(27(17)24-19)14-7-3-2-4-8-14/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3
InChIKeyNABBTMMFXIVNLD-UHFFFAOYSA-N
XLogP2.10
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

7-tert-butyl-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 66659801
5-methyl-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole
CID 67485672
N,N-dimethyl-1-[1-methyl-5-[(3-phenyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxymethyl]-1,2,4-triazol-3-yl]methanamine
CID 139931627
6-[(3-methyl-2-pyridinyl)methoxy]-3-phenyl-7-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 22457799
3,7-diphenyl-6-(pyrimidin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazine
CID 22457786
7-(cyclobutadienyl)-8-methyl-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 66659827
1-[5-[(3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxymethyl]-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine;hydrochloride
CID 139931624
5-methyl-3-[7-(1-methylcyclopropyl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole
CID 139921484
2-[(3,7-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxymethyl]-5-ethyl-1,3-thiazole
CID 21187497
7-tert-butyl-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 11631938
3-[7-(cyclobutadienyl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-oxazole
CID 67486268
6-chloro-3-pyridin-3-yl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 10979520

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 66659658) is 6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is Cn1cnc(COc2nn3c(-c4ccccc4)nnc3cc2N2CCCC2)n1.
What is the InChIKey of 6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is NABBTMMFXIVNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O/c1-25-13-20-16(23-25)12-28-19-15(26-9-5-6-10-26)11-17-21-22-18(27(17)24-19)14-7-3-2-4-8-14/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3.
What are the key properties of 6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 376.42 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 66659658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).