5-[2-(3-methyl-1,2,4-triazol-1-yl)phenoxy]pentan-2-amine

C14H20N4O — CID 70349451

IUPAC5-[2-(3-methyl-1,2,4-triazol-1-yl)phenoxy]pentan-2-amine
SMILESCc1ncn(-c2ccccc2OCCCC(C)N)n1
InChIInChI=1S/C14H20N4O/c1-11(15)6-5-9-19-14-8-4-3-7-13(14)18-10-16-12(2)17-18/h3-4,7-8,10-11H,5-6,9,15H2,1-2H3
InChIKeyMIGMTXNCRLFRLM-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.08
Rot. Bonds6

About 5-[2-(3-methyl-1,2,4-triazol-1-yl)phenoxy]pentan-2-amine

5-[2-(3-methyl-1,2,4-triazol-1-yl)phenoxy]pentan-2-amine (PubChem CID 70349451) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[2-(3-methyl-1,2,4-triazol-1-yl)phenoxy]pentan-2-amine.

Molecular Properties

Compound Name5-[2-(3-methyl-1,2,4-triazol-1-yl)phenoxy]pentan-2-amine
PubChem CID70349451
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-[2-(3-methyl-1,2,4-triazol-1-yl)phenoxy]pentan-2-amine
SMILESCc1ncn(-c2ccccc2OCCCC(C)N)n1
InChIInChI=1S/C14H20N4O/c1-11(15)6-5-9-19-14-8-4-3-7-13(14)18-10-16-12(2)17-18/h3-4,7-8,10-11H,5-6,9,15H2,1-2H3
InChIKeyMIGMTXNCRLFRLM-UHFFFAOYSA-N
XLogP2.08
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methyl-1,2,4-triazol-1-yl)phenoxy]pentan-2-amine?
The IUPAC name of 5-[2-(3-methyl-1,2,4-triazol-1-yl)phenoxy]pentan-2-amine (CID 70349451) is 5-[2-(3-methyl-1,2,4-triazol-1-yl)phenoxy]pentan-2-amine.
What is the SMILES notation for 5-[2-(3-methyl-1,2,4-triazol-1-yl)phenoxy]pentan-2-amine?
The canonical SMILES for 5-[2-(3-methyl-1,2,4-triazol-1-yl)phenoxy]pentan-2-amine is Cc1ncn(-c2ccccc2OCCCC(C)N)n1.
What is the InChIKey of 5-[2-(3-methyl-1,2,4-triazol-1-yl)phenoxy]pentan-2-amine?
The InChIKey is MIGMTXNCRLFRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11(15)6-5-9-19-14-8-4-3-7-13(14)18-10-16-12(2)17-18/h3-4,7-8,10-11H,5-6,9,15H2,1-2H3.
What are the key properties of 5-[2-(3-methyl-1,2,4-triazol-1-yl)phenoxy]pentan-2-amine?
5-[2-(3-methyl-1,2,4-triazol-1-yl)phenoxy]pentan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methyl-1,2,4-triazol-1-yl)phenoxy]pentan-2-amine is sourced from PubChem (CID 70349451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).