1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole

C9H7Cl2N3O — CID 54246679

IUPAC1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole
SMILESCOc1ncnn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C9H7Cl2N3O/c1-15-9-12-5-13-14(9)8-6(10)3-2-4-7(8)11/h2-5H,1H3
InChIKeyQTTDLOBBOVHMFH-UHFFFAOYSA-N
MW244.08 g/mol
LogP2.58
Rot. Bonds2

About 1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole

1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole (PubChem CID 54246679) has the molecular formula C9H7Cl2N3O and a molecular weight of 244.08 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole
PubChem CID54246679
Molecular FormulaC9H7Cl2N3O
Molecular Weight244.08 g/mol
Exact Mass243.00
IUPAC Name1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole
SMILESCOc1ncnn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C9H7Cl2N3O/c1-15-9-12-5-13-14(9)8-6(10)3-2-4-7(8)11/h2-5H,1H3
InChIKeyQTTDLOBBOVHMFH-UHFFFAOYSA-N
XLogP2.58
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dichlorophenyl)-5-methoxy-4-propan-2-yltriazole
CID 174675272
1-(2,6-dichlorophenyl)-5-methylpyrazole
CID 91245761
1-(2,6-dichloro-3-methylphenyl)-5-methyl-1,2,4-triazole
CID 56622565
4-bromo-2-(2,6-dichlorophenyl)-5-[(2-methoxyphenyl)methoxy]pyridazin-3-one
CID 10310586
1-(3-chloro-4-methylphenyl)-5-(2,3-dichlorophenyl)-1,2,4-triazole
CID 760828
2-(2-chlorophenyl)-1,2,4-triazole-3-carbonitrile
CID 84672776
4-[2-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]pyridine
CID 31196224
methyl 1-(2,6-dichlorophenyl)-5-(dimethoxymethyl)pyrazole-4-carboxylate
CID 2745752
(5R,7S)-5-(2-chlorophenyl)-7-(2-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 937823
1-(2,6-dichlorophenyl)-4-propan-2-ylpyrazole
CID 141189690
5-[(E)-but-2-en-2-yl]-1-(2-chlorophenyl)-1,2,4-triazole
CID 88968227
5-[(3-chlorophenoxy)methyl]-1-(2,6-dichlorophenyl)-4-propan-2-yltriazole
CID 141189707

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole (CID 54246679) is 1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole is COc1ncnn1-c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole?
The InChIKey is QTTDLOBBOVHMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O/c1-15-9-12-5-13-14(9)8-6(10)3-2-4-7(8)11/h2-5H,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole?
1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole has a molecular weight of 244.08 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5-methoxy-1,2,4-triazole is sourced from PubChem (CID 54246679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).