[5-iodo-1-(4-methoxyphenyl)triazol-4-yl]methanol

C10H10IN3O2 — CID 125478406

IUPAC[5-iodo-1-(4-methoxyphenyl)triazol-4-yl]methanol
SMILESCOc1ccc(-n2nnc(CO)c2I)cc1
InChIInChI=1S/C10H10IN3O2/c1-16-8-4-2-7(3-5-8)14-10(11)9(6-15)12-13-14/h2-5,15H,6H2,1H3
InChIKeyYMCZBYWVMYVRRR-UHFFFAOYSA-N
MW331.11 g/mol
LogP1.37
Rot. Bonds3

About [5-iodo-1-(4-methoxyphenyl)triazol-4-yl]methanol

[5-iodo-1-(4-methoxyphenyl)triazol-4-yl]methanol (PubChem CID 125478406) has the molecular formula C10H10IN3O2 and a molecular weight of 331.11 g/mol. Its IUPAC name is [5-iodo-1-(4-methoxyphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-iodo-1-(4-methoxyphenyl)triazol-4-yl]methanol
PubChem CID125478406
Molecular FormulaC10H10IN3O2
Molecular Weight331.11 g/mol
Exact Mass330.98
IUPAC Name[5-iodo-1-(4-methoxyphenyl)triazol-4-yl]methanol
SMILESCOc1ccc(-n2nnc(CO)c2I)cc1
InChIInChI=1S/C10H10IN3O2/c1-16-8-4-2-7(3-5-8)14-10(11)9(6-15)12-13-14/h2-5,15H,6H2,1H3
InChIKeyYMCZBYWVMYVRRR-UHFFFAOYSA-N
XLogP1.37
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.11
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze [5-iodo-1-(4-methoxyphenyl)triazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-cyclohexyl-1-(4-methoxyphenyl)triazol-4-yl]methanol
CID 82196201
[1-(4-hexylphenyl)-5-iodotriazol-4-yl]methanol
CID 70928360
[5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine
CID 82196254
4-[4-(aminomethyl)-5-(4-methoxyphenyl)triazol-1-yl]phenol
CID 82194969
[1-(4-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanol
CID 14576135
[1-(4-butoxyphenyl)-5-pentan-3-yltriazol-4-yl]methanol
CID 94939967
[1-[4-(2-methylpropoxy)phenyl]-5-propyltriazol-4-yl]methanol
CID 82199899
[5-(4-methoxyphenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
CID 56769366
ethyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 43836208
[1-(4-bromophenyl)-5-tert-butyltriazol-4-yl]methanol
CID 94938695
[1-(2,4-dimethoxyphenyl)-5-propyltriazol-4-yl]methanol
CID 82197872
[1-(3-methoxyphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
CID 94937701

Frequently Asked Questions

What is the IUPAC name of [5-iodo-1-(4-methoxyphenyl)triazol-4-yl]methanol?
The IUPAC name of [5-iodo-1-(4-methoxyphenyl)triazol-4-yl]methanol (CID 125478406) is [5-iodo-1-(4-methoxyphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-iodo-1-(4-methoxyphenyl)triazol-4-yl]methanol?
The canonical SMILES for [5-iodo-1-(4-methoxyphenyl)triazol-4-yl]methanol is COc1ccc(-n2nnc(CO)c2I)cc1.
What is the InChIKey of [5-iodo-1-(4-methoxyphenyl)triazol-4-yl]methanol?
The InChIKey is YMCZBYWVMYVRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN3O2/c1-16-8-4-2-7(3-5-8)14-10(11)9(6-15)12-13-14/h2-5,15H,6H2,1H3.
What are the key properties of [5-iodo-1-(4-methoxyphenyl)triazol-4-yl]methanol?
[5-iodo-1-(4-methoxyphenyl)triazol-4-yl]methanol has a molecular weight of 331.11 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-iodo-1-(4-methoxyphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 125478406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).