6-chloro-3-[2-methoxy-4-(triazol-2-yl)phenyl]-4-methylpyridazine

C14H12ClN5O — CID 178140286

IUPAC6-chloro-3-[2-methoxy-4-(triazol-2-yl)phenyl]-4-methylpyridazine
SMILESCOc1cc(-n2nccn2)ccc1-c1nnc(Cl)cc1C
InChIInChI=1S/C14H12ClN5O/c1-9-7-13(15)18-19-14(9)11-4-3-10(8-12(11)21-2)20-16-5-6-17-20/h3-8H,1-2H3
InChIKeyIQLCWHRSTCFBAQ-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.69
Rot. Bonds3

About 6-chloro-3-[2-methoxy-4-(triazol-2-yl)phenyl]-4-methylpyridazine

6-chloro-3-[2-methoxy-4-(triazol-2-yl)phenyl]-4-methylpyridazine (PubChem CID 178140286) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is 6-chloro-3-[2-methoxy-4-(triazol-2-yl)phenyl]-4-methylpyridazine.

Molecular Properties

Compound Name6-chloro-3-[2-methoxy-4-(triazol-2-yl)phenyl]-4-methylpyridazine
PubChem CID178140286
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC Name6-chloro-3-[2-methoxy-4-(triazol-2-yl)phenyl]-4-methylpyridazine
SMILESCOc1cc(-n2nccn2)ccc1-c1nnc(Cl)cc1C
InChIInChI=1S/C14H12ClN5O/c1-9-7-13(15)18-19-14(9)11-4-3-10(8-12(11)21-2)20-16-5-6-17-20/h3-8H,1-2H3
InChIKeyIQLCWHRSTCFBAQ-UHFFFAOYSA-N
XLogP2.69
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-methoxy-4-(triazol-2-yl)phenyl]-4-methylpyridazine?
The IUPAC name of 6-chloro-3-[2-methoxy-4-(triazol-2-yl)phenyl]-4-methylpyridazine (CID 178140286) is 6-chloro-3-[2-methoxy-4-(triazol-2-yl)phenyl]-4-methylpyridazine.
What is the SMILES notation for 6-chloro-3-[2-methoxy-4-(triazol-2-yl)phenyl]-4-methylpyridazine?
The canonical SMILES for 6-chloro-3-[2-methoxy-4-(triazol-2-yl)phenyl]-4-methylpyridazine is COc1cc(-n2nccn2)ccc1-c1nnc(Cl)cc1C.
What is the InChIKey of 6-chloro-3-[2-methoxy-4-(triazol-2-yl)phenyl]-4-methylpyridazine?
The InChIKey is IQLCWHRSTCFBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c1-9-7-13(15)18-19-14(9)11-4-3-10(8-12(11)21-2)20-16-5-6-17-20/h3-8H,1-2H3.
What are the key properties of 6-chloro-3-[2-methoxy-4-(triazol-2-yl)phenyl]-4-methylpyridazine?
6-chloro-3-[2-methoxy-4-(triazol-2-yl)phenyl]-4-methylpyridazine has a molecular weight of 301.74 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-methoxy-4-(triazol-2-yl)phenyl]-4-methylpyridazine is sourced from PubChem (CID 178140286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).