[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol

C11H13N3O2 — CID 79600800

IUPAC[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol
SMILESCOc1ccc(Cc2nc(CO)n[nH]2)cc1
InChIInChI=1S/C11H13N3O2/c1-16-9-4-2-8(3-5-9)6-10-12-11(7-15)14-13-10/h2-5,15H,6-7H2,1H3,(H,12,13,14)
InChIKeyNPTSKFOZJYLAEV-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.90
Rot. Bonds4

About [5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol

[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol (PubChem CID 79600800) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is [5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol
PubChem CID79600800
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol
SMILESCOc1ccc(Cc2nc(CO)n[nH]2)cc1
InChIInChI=1S/C11H13N3O2/c1-16-9-4-2-8(3-5-9)6-10-12-11(7-15)14-13-10/h2-5,15H,6-7H2,1H3,(H,12,13,14)
InChIKeyNPTSKFOZJYLAEV-UHFFFAOYSA-N
XLogP0.90
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol
CID 79601139
[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol
CID 79600715
[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol
CID 79600627
N-(4-methoxyphenyl)-2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 53168785
3-ethyl-5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazole
CID 61277923
[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanol
CID 79600717
1-[3-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-5-yl]-N-methylmethanamine
CID 82568233
N-[2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzenesulfonamide
CID 53090390
2-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethanamine
CID 62950738
1-[4-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]butan-2-yl]-4-methylpiperazine
CID 131946901
(4-methoxyphenyl)methanol
CID 7738
5-[(4-methoxyphenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole
CID 55090566

Frequently Asked Questions

What is the IUPAC name of [5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol (CID 79600800) is [5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol is COc1ccc(Cc2nc(CO)n[nH]2)cc1.
What is the InChIKey of [5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol?
The InChIKey is NPTSKFOZJYLAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-16-9-4-2-8(3-5-9)6-10-12-11(7-15)14-13-10/h2-5,15H,6-7H2,1H3,(H,12,13,14).
What are the key properties of [5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol?
[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol has a molecular weight of 219.24 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 79600800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).