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

C19H18FN7O — CID 22609941

IUPAC7-cyclobutyl-3-(2-fluorophenyl)-6-[(4-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1cnnc1COc1nn2c(-c3ccccc3F)nnc2cc1C1CCC1
InChIInChI=1S/C19H18FN7O/c1-26-11-21-22-17(26)10-28-19-14(12-5-4-6-12)9-16-23-24-18(27(16)25-19)13-7-2-3-8-15(13)20/h2-3,7-9,11-12H,4-6,10H2,1H3
InChIKeyJVIANPZMMDPUAH-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.91
Rot. Bonds5

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

7-cyclobutyl-3-(2-fluorophenyl)-6-[(4-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 22609941) has the molecular formula C19H18FN7O and a molecular weight of 379.40 g/mol. Its IUPAC name is 7-cyclobutyl-3-(2-fluorophenyl)-6-[(4-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name7-cyclobutyl-3-(2-fluorophenyl)-6-[(4-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID22609941
Molecular FormulaC19H18FN7O
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC Name7-cyclobutyl-3-(2-fluorophenyl)-6-[(4-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1cnnc1COc1nn2c(-c3ccccc3F)nnc2cc1C1CCC1
InChIInChI=1S/C19H18FN7O/c1-26-11-21-22-17(26)10-28-19-14(12-5-4-6-12)9-16-23-24-18(27(16)25-19)13-7-2-3-8-15(13)20/h2-3,7-9,11-12H,4-6,10H2,1H3
InChIKeyJVIANPZMMDPUAH-UHFFFAOYSA-N
XLogP2.91
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyl-3-(2-fluorophenyl)-6-[(4-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 7-cyclobutyl-3-(2-fluorophenyl)-6-[(4-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine (CID 22609941) is 7-cyclobutyl-3-(2-fluorophenyl)-6-[(4-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 7-cyclobutyl-3-(2-fluorophenyl)-6-[(4-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 7-cyclobutyl-3-(2-fluorophenyl)-6-[(4-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine is Cn1cnnc1COc1nn2c(-c3ccccc3F)nnc2cc1C1CCC1.
What is the InChIKey of 7-cyclobutyl-3-(2-fluorophenyl)-6-[(4-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is JVIANPZMMDPUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7O/c1-26-11-21-22-17(26)10-28-19-14(12-5-4-6-12)9-16-23-24-18(27(16)25-19)13-7-2-3-8-15(13)20/h2-3,7-9,11-12H,4-6,10H2,1H3.
What are the key properties of 7-cyclobutyl-3-(2-fluorophenyl)-6-[(4-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
7-cyclobutyl-3-(2-fluorophenyl)-6-[(4-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 379.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutyl-3-(2-fluorophenyl)-6-[(4-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 22609941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).