3-chloro-6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazine

C13H10ClFN6O — CID 57335254

IUPAC3-chloro-6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazine
SMILESCn1nnc(-c2ccc(F)cn2)c1COc1ccc(Cl)nn1
InChIInChI=1S/C13H10ClFN6O/c1-21-10(7-22-12-5-4-11(14)17-18-12)13(19-20-21)9-3-2-8(15)6-16-9/h2-6H,7H2,1H3
InChIKeyJCBWBLAJOGQWHC-UHFFFAOYSA-N
MW320.72 g/mol
LogP2.04
Rot. Bonds4

About 3-chloro-6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazine

3-chloro-6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazine (PubChem CID 57335254) has the molecular formula C13H10ClFN6O and a molecular weight of 320.72 g/mol. Its IUPAC name is 3-chloro-6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazine
PubChem CID57335254
Molecular FormulaC13H10ClFN6O
Molecular Weight320.72 g/mol
Exact Mass320.06
IUPAC Name3-chloro-6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazine
SMILESCn1nnc(-c2ccc(F)cn2)c1COc1ccc(Cl)nn1
InChIInChI=1S/C13H10ClFN6O/c1-21-10(7-22-12-5-4-11(14)17-18-12)13(19-20-21)9-3-2-8(15)6-16-9/h2-6H,7H2,1H3
InChIKeyJCBWBLAJOGQWHC-UHFFFAOYSA-N
XLogP2.04
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.72
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-chloro-6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazine?
The IUPAC name of 3-chloro-6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazine (CID 57335254) is 3-chloro-6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazine.
What is the SMILES notation for 3-chloro-6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazine?
The canonical SMILES for 3-chloro-6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazine is Cn1nnc(-c2ccc(F)cn2)c1COc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazine?
The InChIKey is JCBWBLAJOGQWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN6O/c1-21-10(7-22-12-5-4-11(14)17-18-12)13(19-20-21)9-3-2-8(15)6-16-9/h2-6H,7H2,1H3.
What are the key properties of 3-chloro-6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazine?
3-chloro-6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazine has a molecular weight of 320.72 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[[5-(5-fluoro-2-pyridinyl)-3-methyltriazol-4-yl]methoxy]pyridazine is sourced from PubChem (CID 57335254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).