3-chloro-6-[[3-[4-(fluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine

C15H13ClFN5O — CID 167438990

IUPAC3-chloro-6-[[3-[4-(fluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine
SMILESCc1nnn(-c2ccc(CF)cc2)c1COc1ccc(Cl)nn1
InChIInChI=1S/C15H13ClFN5O/c1-10-13(9-23-15-7-6-14(16)19-20-15)22(21-18-10)12-4-2-11(8-17)3-5-12/h2-7H,8-9H2,1H3
InChIKeyGORRDNWRCBXIMF-UHFFFAOYSA-N
MW333.75 g/mol
LogP3.07
Rot. Bonds5

About 3-chloro-6-[[3-[4-(fluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine

3-chloro-6-[[3-[4-(fluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine (PubChem CID 167438990) has the molecular formula C15H13ClFN5O and a molecular weight of 333.75 g/mol. Its IUPAC name is 3-chloro-6-[[3-[4-(fluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[[3-[4-(fluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine
PubChem CID167438990
Molecular FormulaC15H13ClFN5O
Molecular Weight333.75 g/mol
Exact Mass333.08
IUPAC Name3-chloro-6-[[3-[4-(fluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine
SMILESCc1nnn(-c2ccc(CF)cc2)c1COc1ccc(Cl)nn1
InChIInChI=1S/C15H13ClFN5O/c1-10-13(9-23-15-7-6-14(16)19-20-15)22(21-18-10)12-4-2-11(8-17)3-5-12/h2-7H,8-9H2,1H3
InChIKeyGORRDNWRCBXIMF-UHFFFAOYSA-N
XLogP3.07
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[[3-[4-(fluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine?
The IUPAC name of 3-chloro-6-[[3-[4-(fluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine (CID 167438990) is 3-chloro-6-[[3-[4-(fluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine.
What is the SMILES notation for 3-chloro-6-[[3-[4-(fluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine?
The canonical SMILES for 3-chloro-6-[[3-[4-(fluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine is Cc1nnn(-c2ccc(CF)cc2)c1COc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-[[3-[4-(fluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine?
The InChIKey is GORRDNWRCBXIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN5O/c1-10-13(9-23-15-7-6-14(16)19-20-15)22(21-18-10)12-4-2-11(8-17)3-5-12/h2-7H,8-9H2,1H3.
What are the key properties of 3-chloro-6-[[3-[4-(fluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine?
3-chloro-6-[[3-[4-(fluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine has a molecular weight of 333.75 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[[3-[4-(fluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazine is sourced from PubChem (CID 167438990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).