[1-(2,4-dichlorophenyl)triazol-4-yl]methanol

C9H7Cl2N3O — CID 62401068

IUPAC[1-(2,4-dichlorophenyl)triazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C9H7Cl2N3O/c10-6-1-2-9(8(11)3-6)14-4-7(5-15)12-13-14/h1-4,15H,5H2
InChIKeyAJCAHVICDDRILC-UHFFFAOYSA-N
MW244.08 g/mol
LogP2.07
Rot. Bonds2

About [1-(2,4-dichlorophenyl)triazol-4-yl]methanol

[1-(2,4-dichlorophenyl)triazol-4-yl]methanol (PubChem CID 62401068) has the molecular formula C9H7Cl2N3O and a molecular weight of 244.08 g/mol. Its IUPAC name is [1-(2,4-dichlorophenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2,4-dichlorophenyl)triazol-4-yl]methanol
PubChem CID62401068
Molecular FormulaC9H7Cl2N3O
Molecular Weight244.08 g/mol
Exact Mass243.00
IUPAC Name[1-(2,4-dichlorophenyl)triazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C9H7Cl2N3O/c10-6-1-2-9(8(11)3-6)14-4-7(5-15)12-13-14/h1-4,15H,5H2
InChIKeyAJCAHVICDDRILC-UHFFFAOYSA-N
XLogP2.07
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 2763878
(1-phenyl-1H-1,2,3-triazol-4-yl)methanol
CID 708707
[1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 1475797
(1-(4-Chloro-3-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methanol
CID 62401451
[1-[2,4-Dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 146425100
(1-(2-chlorophenyl)-1H-1,2,3-triazol-4-yl)methanol
CID 53474091
[1-(2,3-dichlorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 62400338
1-(4-Chlorophenyl)-4-(ethoxymethyl)triazole
CID 125478479
4-(Butoxymethyl)-1-(2,5-dichlorophenyl)triazole
CID 145953795
[1-(3,5-Dichlorophenyl)triazol-4-yl]methanol
CID 53474184
[1-(3-chlorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 56683787
1-[1-[2,4-Dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 146437882

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dichlorophenyl)triazol-4-yl]methanol?
The IUPAC name of [1-(2,4-dichlorophenyl)triazol-4-yl]methanol (CID 62401068) is [1-(2,4-dichlorophenyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(2,4-dichlorophenyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(2,4-dichlorophenyl)triazol-4-yl]methanol is OCc1cn(-c2ccc(Cl)cc2Cl)nn1.
What is the InChIKey of [1-(2,4-dichlorophenyl)triazol-4-yl]methanol?
The InChIKey is AJCAHVICDDRILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O/c10-6-1-2-9(8(11)3-6)14-4-7(5-15)12-13-14/h1-4,15H,5H2.
What are the key properties of [1-(2,4-dichlorophenyl)triazol-4-yl]methanol?
[1-(2,4-dichlorophenyl)triazol-4-yl]methanol has a molecular weight of 244.08 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dichlorophenyl)triazol-4-yl]methanol is sourced from PubChem (CID 62401068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).