1-(3,4-dichlorophenyl)-4-(methoxymethyl)triazole

C10H9Cl2N3O — CID 146425070

IUPAC1-(3,4-dichlorophenyl)-4-(methoxymethyl)triazole
SMILESCOCc1cn(-c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C10H9Cl2N3O/c1-16-6-7-5-15(14-13-7)8-2-3-9(11)10(12)4-8/h2-5H,6H2,1H3
InChIKeyAVEGVXJSZAEELP-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.72
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-4-(methoxymethyl)triazole

1-(3,4-dichlorophenyl)-4-(methoxymethyl)triazole (PubChem CID 146425070) has the molecular formula C10H9Cl2N3O and a molecular weight of 258.11 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-(methoxymethyl)triazole.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-(methoxymethyl)triazole
PubChem CID146425070
Molecular FormulaC10H9Cl2N3O
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name1-(3,4-dichlorophenyl)-4-(methoxymethyl)triazole
SMILESCOCc1cn(-c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C10H9Cl2N3O/c1-16-6-7-5-15(14-13-7)8-2-3-9(11)10(12)4-8/h2-5H,6H2,1H3
InChIKeyAVEGVXJSZAEELP-UHFFFAOYSA-N
XLogP2.72
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-(methoxymethyl)triazole?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-(methoxymethyl)triazole (CID 146425070) is 1-(3,4-dichlorophenyl)-4-(methoxymethyl)triazole.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-(methoxymethyl)triazole?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-(methoxymethyl)triazole is COCc1cn(-c2ccc(Cl)c(Cl)c2)nn1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-(methoxymethyl)triazole?
The InChIKey is AVEGVXJSZAEELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O/c1-16-6-7-5-15(14-13-7)8-2-3-9(11)10(12)4-8/h2-5H,6H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-4-(methoxymethyl)triazole?
1-(3,4-dichlorophenyl)-4-(methoxymethyl)triazole has a molecular weight of 258.11 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4-(methoxymethyl)triazole is sourced from PubChem (CID 146425070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).