5-[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine

C14H20N4O — CID 82569309

IUPAC5-[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine
SMILESCOc1ccccc1-c1n[nH]c(CCCCCN)n1
InChIInChI=1S/C14H20N4O/c1-19-12-8-5-4-7-11(12)14-16-13(17-18-14)9-3-2-6-10-15/h4-5,7-8H,2-3,6,9-10,15H2,1H3,(H,16,17,18)
InChIKeyMAHACBMPGFRSFU-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.15
Rot. Bonds7

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

5-[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine (PubChem CID 82569309) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine
PubChem CID82569309
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine
SMILESCOc1ccccc1-c1n[nH]c(CCCCCN)n1
InChIInChI=1S/C14H20N4O/c1-19-12-8-5-4-7-11(12)14-16-13(17-18-14)9-3-2-6-10-15/h4-5,7-8H,2-3,6,9-10,15H2,1H3,(H,16,17,18)
InChIKeyMAHACBMPGFRSFU-UHFFFAOYSA-N
XLogP2.15
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)propan-1-amine
CID 55154678
3-[3-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 107923108
2-[3-(5-tert-butyl-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 96669762
5-[3-(3,4-difluorophenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine
CID 82569314
5-[3-(4-pyridin-2-ylphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine
CID 82569333
2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)ethanamine
CID 62952070
4-amino-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82569643
[3-(4-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 106819878
3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole
CID 61277730
3-(2-fluoro-6-methoxyphenyl)-5-propyl-1H-1,2,4-triazole
CID 65432295
[3-[3-methoxy-2-(methylamino)phenyl]-1H-1,2,4-triazol-5-yl]methanol
CID 90267958
2-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 66486746

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine?
The IUPAC name of 5-[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine (CID 82569309) is 5-[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine.
What is the SMILES notation for 5-[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine?
The canonical SMILES for 5-[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine is COc1ccccc1-c1n[nH]c(CCCCCN)n1.
What is the InChIKey of 5-[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine?
The InChIKey is MAHACBMPGFRSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-19-12-8-5-4-7-11(12)14-16-13(17-18-14)9-3-2-6-10-15/h4-5,7-8H,2-3,6,9-10,15H2,1H3,(H,16,17,18).
What are the key properties of 5-[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine?
5-[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine is sourced from PubChem (CID 82569309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).