2-[5-[[4-(dimethylamino)phenyl]methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol

C14H20N4O — CID 74235260

IUPAC2-[5-[[4-(dimethylamino)phenyl]methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol
SMILESCc1nc(Cc2ccc(N(C)C)cc2)n(CCO)n1
InChIInChI=1S/C14H20N4O/c1-11-15-14(18(16-11)8-9-19)10-12-4-6-13(7-5-12)17(2)3/h4-7,19H,8-10H2,1-3H3
InChIKeyMHYIIMJRJWCJDG-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.24
Rot. Bonds5

About 2-[5-[[4-(dimethylamino)phenyl]methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol

2-[5-[[4-(dimethylamino)phenyl]methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol (PubChem CID 74235260) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[5-[[4-(dimethylamino)phenyl]methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[[4-(dimethylamino)phenyl]methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol
PubChem CID74235260
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[5-[[4-(dimethylamino)phenyl]methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol
SMILESCc1nc(Cc2ccc(N(C)C)cc2)n(CCO)n1
InChIInChI=1S/C14H20N4O/c1-11-15-14(18(16-11)8-9-19)10-12-4-6-13(7-5-12)17(2)3/h4-7,19H,8-10H2,1-3H3
InChIKeyMHYIIMJRJWCJDG-UHFFFAOYSA-N
XLogP1.24
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-(dimethylamino)phenyl]methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[5-[[4-(dimethylamino)phenyl]methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol (CID 74235260) is 2-[5-[[4-(dimethylamino)phenyl]methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[[4-(dimethylamino)phenyl]methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[[4-(dimethylamino)phenyl]methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol is Cc1nc(Cc2ccc(N(C)C)cc2)n(CCO)n1.
What is the InChIKey of 2-[5-[[4-(dimethylamino)phenyl]methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol?
The InChIKey is MHYIIMJRJWCJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11-15-14(18(16-11)8-9-19)10-12-4-6-13(7-5-12)17(2)3/h4-7,19H,8-10H2,1-3H3.
What are the key properties of 2-[5-[[4-(dimethylamino)phenyl]methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol?
2-[5-[[4-(dimethylamino)phenyl]methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol has a molecular weight of 260.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-(dimethylamino)phenyl]methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 74235260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).