3-chloro-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole

C10H10ClN3O — CID 63383373

IUPAC3-chloro-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole
SMILESCOc1ccccc1Cn1cnnc1Cl
InChIInChI=1S/C10H10ClN3O/c1-15-9-5-3-2-4-8(9)6-14-7-12-13-10(14)11/h2-5,7H,6H2,1H3
InChIKeyXUWHYYDVNNJJMX-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.99
Rot. Bonds3

About 3-chloro-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole

3-chloro-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole (PubChem CID 63383373) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 3-chloro-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole
PubChem CID63383373
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name3-chloro-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole
SMILESCOc1ccccc1Cn1cnnc1Cl
InChIInChI=1S/C10H10ClN3O/c1-15-9-5-3-2-4-8(9)6-14-7-12-13-10(14)11/h2-5,7H,6H2,1H3
InChIKeyXUWHYYDVNNJJMX-UHFFFAOYSA-N
XLogP1.99
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1,2,4-triazole
CID 55183467
ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole
CID 144668203
2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 114703081
1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole
CID 63810139
3-iodo-1-[(2-methoxyphenyl)methyl]-1,2,4-triazole
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3-[(2-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 10825717
[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride
CID 162423000
4-bromo-1-[(2-methoxyphenyl)methyl]indole
CID 116626014
4-(2,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]imidazol-2-amine;hydrochloride
CID 67113669
1-(2-chloroprop-2-enyl)-2-methoxybenzene
CID 24721826
2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107443923
3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 33278584

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole?
The IUPAC name of 3-chloro-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole (CID 63383373) is 3-chloro-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole is COc1ccccc1Cn1cnnc1Cl.
What is the InChIKey of 3-chloro-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole?
The InChIKey is XUWHYYDVNNJJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-15-9-5-3-2-4-8(9)6-14-7-12-13-10(14)11/h2-5,7H,6H2,1H3.
What are the key properties of 3-chloro-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole?
3-chloro-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole has a molecular weight of 223.66 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole is sourced from PubChem (CID 63383373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).