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

C11H15N3O2 — CID 70460361

IUPAC[4-(4-methoxyphenyl)-2-methyl-3H-1,2,4-triazol-5-yl]methanol
SMILESCOc1ccc(N2CN(C)N=C2CO)cc1
InChIInChI=1S/C11H15N3O2/c1-13-8-14(11(7-15)12-13)9-3-5-10(16-2)6-4-9/h3-6,15H,7-8H2,1-2H3
InChIKeySJXBIYBGPBFKMP-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.71
Rot. Bonds3

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

[4-(4-methoxyphenyl)-2-methyl-3H-1,2,4-triazol-5-yl]methanol (PubChem CID 70460361) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)-2-methyl-3H-1,2,4-triazol-5-yl]methanol.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)-2-methyl-3H-1,2,4-triazol-5-yl]methanol
PubChem CID70460361
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name[4-(4-methoxyphenyl)-2-methyl-3H-1,2,4-triazol-5-yl]methanol
SMILESCOc1ccc(N2CN(C)N=C2CO)cc1
InChIInChI=1S/C11H15N3O2/c1-13-8-14(11(7-15)12-13)9-3-5-10(16-2)6-4-9/h3-6,15H,7-8H2,1-2H3
InChIKeySJXBIYBGPBFKMP-UHFFFAOYSA-N
XLogP0.71
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)-2-methyl-3H-1,2,4-triazol-5-yl]methanol?
The IUPAC name of [4-(4-methoxyphenyl)-2-methyl-3H-1,2,4-triazol-5-yl]methanol (CID 70460361) is [4-(4-methoxyphenyl)-2-methyl-3H-1,2,4-triazol-5-yl]methanol.
What is the SMILES notation for [4-(4-methoxyphenyl)-2-methyl-3H-1,2,4-triazol-5-yl]methanol?
The canonical SMILES for [4-(4-methoxyphenyl)-2-methyl-3H-1,2,4-triazol-5-yl]methanol is COc1ccc(N2CN(C)N=C2CO)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)-2-methyl-3H-1,2,4-triazol-5-yl]methanol?
The InChIKey is SJXBIYBGPBFKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-13-8-14(11(7-15)12-13)9-3-5-10(16-2)6-4-9/h3-6,15H,7-8H2,1-2H3.
What are the key properties of [4-(4-methoxyphenyl)-2-methyl-3H-1,2,4-triazol-5-yl]methanol?
[4-(4-methoxyphenyl)-2-methyl-3H-1,2,4-triazol-5-yl]methanol has a molecular weight of 221.26 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)-2-methyl-3H-1,2,4-triazol-5-yl]methanol is sourced from PubChem (CID 70460361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).