6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide

C18H19FN6O2 — CID 57335700

IUPAC6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide
SMILESCc1nnn(-c2ccc(F)cc2)c1COc1ccc(C(=O)NC(C)C)nn1
InChIInChI=1S/C18H19FN6O2/c1-11(2)20-18(26)15-8-9-17(23-22-15)27-10-16-12(3)21-24-25(16)14-6-4-13(19)5-7-14/h4-9,11H,10H2,1-3H3,(H,20,26)
InChIKeyUAJDPQCJEOMRDC-UHFFFAOYSA-N
MW370.39 g/mol
LogP2.22
Rot. Bonds6

About 6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide

6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide (PubChem CID 57335700) has the molecular formula C18H19FN6O2 and a molecular weight of 370.39 g/mol. Its IUPAC name is 6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide
PubChem CID57335700
Molecular FormulaC18H19FN6O2
Molecular Weight370.39 g/mol
Exact Mass370.16
IUPAC Name6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide
SMILESCc1nnn(-c2ccc(F)cc2)c1COc1ccc(C(=O)NC(C)C)nn1
InChIInChI=1S/C18H19FN6O2/c1-11(2)20-18(26)15-8-9-17(23-22-15)27-10-16-12(3)21-24-25(16)14-6-4-13(19)5-7-14/h4-9,11H,10H2,1-3H3,(H,20,26)
InChIKeyUAJDPQCJEOMRDC-UHFFFAOYSA-N
XLogP2.22
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of 6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide (CID 57335700) is 6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide is Cc1nnn(-c2ccc(F)cc2)c1COc1ccc(C(=O)NC(C)C)nn1.
What is the InChIKey of 6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is UAJDPQCJEOMRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2/c1-11(2)20-18(26)15-8-9-17(23-22-15)27-10-16-12(3)21-24-25(16)14-6-4-13(19)5-7-14/h4-9,11H,10H2,1-3H3,(H,20,26).
What are the key properties of 6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide?
6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 370.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 57335700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).