6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methyloxetan-3-yl)pyridazine-3-carboxamide

C19H19FN6O3 — CID 57335832

IUPAC6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methyloxetan-3-yl)pyridazine-3-carboxamide
SMILESCc1nnn(-c2ccc(F)cc2)c1COc1ccc(C(=O)NC2(C)COC2)nn1
InChIInChI=1S/C19H19FN6O3/c1-12-16(26(25-22-12)14-5-3-13(20)4-6-14)9-29-17-8-7-15(23-24-17)18(27)21-19(2)10-28-11-19/h3-8H,9-11H2,1-2H3,(H,21,27)
InChIKeyHJPUKLFGOZUAPQ-UHFFFAOYSA-N
MW398.40 g/mol
LogP1.60
Rot. Bonds6

About 6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methyloxetan-3-yl)pyridazine-3-carboxamide

6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methyloxetan-3-yl)pyridazine-3-carboxamide (PubChem CID 57335832) has the molecular formula C19H19FN6O3 and a molecular weight of 398.40 g/mol. Its IUPAC name is 6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methyloxetan-3-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methyloxetan-3-yl)pyridazine-3-carboxamide
PubChem CID57335832
Molecular FormulaC19H19FN6O3
Molecular Weight398.40 g/mol
Exact Mass398.15
IUPAC Name6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methyloxetan-3-yl)pyridazine-3-carboxamide
SMILESCc1nnn(-c2ccc(F)cc2)c1COc1ccc(C(=O)NC2(C)COC2)nn1
InChIInChI=1S/C19H19FN6O3/c1-12-16(26(25-22-12)14-5-3-13(20)4-6-14)9-29-17-8-7-15(23-24-17)18(27)21-19(2)10-28-11-19/h3-8H,9-11H2,1-2H3,(H,21,27)
InChIKeyHJPUKLFGOZUAPQ-UHFFFAOYSA-N
XLogP1.60
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methyloxetan-3-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methyloxetan-3-yl)pyridazine-3-carboxamide (CID 57335832) is 6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methyloxetan-3-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methyloxetan-3-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methyloxetan-3-yl)pyridazine-3-carboxamide is Cc1nnn(-c2ccc(F)cc2)c1COc1ccc(C(=O)NC2(C)COC2)nn1.
What is the InChIKey of 6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methyloxetan-3-yl)pyridazine-3-carboxamide?
The InChIKey is HJPUKLFGOZUAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O3/c1-12-16(26(25-22-12)14-5-3-13(20)4-6-14)9-29-17-8-7-15(23-24-17)18(27)21-19(2)10-28-11-19/h3-8H,9-11H2,1-2H3,(H,21,27).
What are the key properties of 6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methyloxetan-3-yl)pyridazine-3-carboxamide?
6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methyloxetan-3-yl)pyridazine-3-carboxamide has a molecular weight of 398.40 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methyloxetan-3-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 57335832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).