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

C12H15N3O — CID 115396967

IUPAC[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1CCc1ccccc1
InChIInChI=1S/C12H15N3O/c1-15-11(13-14-12(15)9-16)8-7-10-5-3-2-4-6-10/h2-6,16H,7-9H2,1H3
InChIKeyAHCALSPWDHSDNH-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.09
Rot. Bonds4

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

[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 115396967) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID115396967
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1CCc1ccccc1
InChIInChI=1S/C12H15N3O/c1-15-11(13-14-12(15)9-16)8-7-10-5-3-2-4-6-10/h2-6,16H,7-9H2,1H3
InChIKeyAHCALSPWDHSDNH-UHFFFAOYSA-N
XLogP1.09
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol (CID 115396967) is [4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol is Cn1c(CO)nnc1CCc1ccccc1.
What is the InChIKey of [4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is AHCALSPWDHSDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-11(13-14-12(15)9-16)8-7-10-5-3-2-4-6-10/h2-6,16H,7-9H2,1H3.
What are the key properties of [4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol?
[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 217.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115396967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).