1-[2-tert-butyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine

C17H26N4O2 — CID 131932189

IUPAC1-[2-tert-butyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
SMILESCOc1ccccc1OCc1nc(CN(C)C)n(C(C)(C)C)n1
InChIInChI=1S/C17H26N4O2/c1-17(2,3)21-16(11-20(4)5)18-15(19-21)12-23-14-10-8-7-9-13(14)22-6/h7-10H,11-12H2,1-6H3
InChIKeyZLXZWDSLTMQDMO-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.68
Rot. Bonds6

About 1-[2-tert-butyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine

1-[2-tert-butyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine (PubChem CID 131932189) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[2-tert-butyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-tert-butyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
PubChem CID131932189
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-[2-tert-butyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
SMILESCOc1ccccc1OCc1nc(CN(C)C)n(C(C)(C)C)n1
InChIInChI=1S/C17H26N4O2/c1-17(2,3)21-16(11-20(4)5)18-15(19-21)12-23-14-10-8-7-9-13(14)22-6/h7-10H,11-12H2,1-6H3
InChIKeyZLXZWDSLTMQDMO-UHFFFAOYSA-N
XLogP2.68
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-tert-butyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-tert-butyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine (CID 131932189) is 1-[2-tert-butyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-tert-butyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-tert-butyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine is COc1ccccc1OCc1nc(CN(C)C)n(C(C)(C)C)n1.
What is the InChIKey of 1-[2-tert-butyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is ZLXZWDSLTMQDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-17(2,3)21-16(11-20(4)5)18-15(19-21)12-23-14-10-8-7-9-13(14)22-6/h7-10H,11-12H2,1-6H3.
What are the key properties of 1-[2-tert-butyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
1-[2-tert-butyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine has a molecular weight of 318.42 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-tert-butyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 131932189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).