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

C18H19FN6O2 — CID 57335094

IUPAC6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)nnn2C)nn1
InChIInChI=1S/C18H19FN6O2/c1-11(2)20-18(26)14-8-9-16(22-21-14)27-10-15-17(23-24-25(15)3)12-4-6-13(19)7-5-12/h4-9,11H,10H2,1-3H3,(H,20,26)
InChIKeyQDHLUHZSHYAZRJ-UHFFFAOYSA-N
MW370.39 g/mol
LogP2.13
Rot. Bonds6

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

6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide (PubChem CID 57335094) has the molecular formula C18H19FN6O2 and a molecular weight of 370.39 g/mol. Its IUPAC name is 6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide
PubChem CID57335094
Molecular FormulaC18H19FN6O2
Molecular Weight370.39 g/mol
Exact Mass370.16
IUPAC Name6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)nnn2C)nn1
InChIInChI=1S/C18H19FN6O2/c1-11(2)20-18(26)14-8-9-16(22-21-14)27-10-15-17(23-24-25(15)3)12-4-6-13(19)7-5-12/h4-9,11H,10H2,1-3H3,(H,20,26)
InChIKeyQDHLUHZSHYAZRJ-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide
CID 57335700
4-[6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]piperazin-2-one
CID 167438901
1-[5-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyrazin-2-yl]-2-(oxan-4-yl)ethanone
CID 160899615
6-methoxy-N-propan-2-ylpyridazine-3-carboxamide
CID 129166823
6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-propylpyridazine-3-carboxamide
CID 67498216
6-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-N-(3-methyloxetan-3-yl)pyridazine-3-carboxamide
CID 57335832
3-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]-6-(1H-pyrazol-4-yl)pyridazine
CID 166966215
2-bromo-1-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethanone
CID 88531319
4-(4-fluorophenyl)-1-methyl-5-propan-2-yltriazole
CID 176723263
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-propan-2-ylpyridazine-3-carboxamide
CID 66643929
2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 109179488

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of 6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide (CID 57335094) is 6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide is CC(C)NC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)nnn2C)nn1.
What is the InChIKey of 6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is QDHLUHZSHYAZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2/c1-11(2)20-18(26)14-8-9-16(22-21-14)27-10-15-17(23-24-25(15)3)12-4-6-13(19)7-5-12/h4-9,11H,10H2,1-3H3,(H,20,26).
What are the key properties of 6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide?
6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 370.39 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]-N-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 57335094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).