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

C18H19FN6O3 — CID 90449908

IUPAC[6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1ccc(OCc2c(-c3ccc(F)cc3)nnn2C)nn1
InChIInChI=1S/C18H19FN6O3/c1-11(2)20-18(26)28-16-9-8-15(21-22-16)27-10-14-17(23-24-25(14)3)12-4-6-13(19)7-5-12/h4-9,11H,10H2,1-3H3,(H,20,26)
InChIKeyBMUAGMFKLWEPFT-UHFFFAOYSA-N
MW386.39 g/mol
LogP2.49
Rot. Bonds6

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

[6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl] N-propan-2-ylcarbamate (PubChem CID 90449908) has the molecular formula C18H19FN6O3 and a molecular weight of 386.39 g/mol. Its IUPAC name is [6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl] N-propan-2-ylcarbamate
PubChem CID90449908
Molecular FormulaC18H19FN6O3
Molecular Weight386.39 g/mol
Exact Mass386.15
IUPAC Name[6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1ccc(OCc2c(-c3ccc(F)cc3)nnn2C)nn1
InChIInChI=1S/C18H19FN6O3/c1-11(2)20-18(26)28-16-9-8-15(21-22-16)27-10-14-17(23-24-25(14)3)12-4-6-13(19)7-5-12/h4-9,11H,10H2,1-3H3,(H,20,26)
InChIKeyBMUAGMFKLWEPFT-UHFFFAOYSA-N
XLogP2.49
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl] N-propan-2-ylcarbamate?
The IUPAC name of [6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl] N-propan-2-ylcarbamate (CID 90449908) is [6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl] N-propan-2-ylcarbamate.
What is the SMILES notation for [6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl] N-propan-2-ylcarbamate?
The canonical SMILES for [6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl] N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1ccc(OCc2c(-c3ccc(F)cc3)nnn2C)nn1.
What is the InChIKey of [6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl] N-propan-2-ylcarbamate?
The InChIKey is BMUAGMFKLWEPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O3/c1-11(2)20-18(26)28-16-9-8-15(21-22-16)27-10-14-17(23-24-25(14)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]pyridazin-3-yl] N-propan-2-ylcarbamate?
[6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl] N-propan-2-ylcarbamate has a molecular weight of 386.39 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl] N-propan-2-ylcarbamate is sourced from PubChem (CID 90449908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).