5-ethoxy-2-(3-phenoxypropyl)-1,2,4-triazol-3-amine

C13H18N4O2 — CID 79873461

IUPAC5-ethoxy-2-(3-phenoxypropyl)-1,2,4-triazol-3-amine
SMILESCCOc1nc(N)n(CCCOc2ccccc2)n1
InChIInChI=1S/C13H18N4O2/c1-2-18-13-15-12(14)17(16-13)9-6-10-19-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H2,14,15,16)
InChIKeyFCIWTJOHONMDPB-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.73
Rot. Bonds7

About 5-ethoxy-2-(3-phenoxypropyl)-1,2,4-triazol-3-amine

5-ethoxy-2-(3-phenoxypropyl)-1,2,4-triazol-3-amine (PubChem CID 79873461) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-ethoxy-2-(3-phenoxypropyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-ethoxy-2-(3-phenoxypropyl)-1,2,4-triazol-3-amine
PubChem CID79873461
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5-ethoxy-2-(3-phenoxypropyl)-1,2,4-triazol-3-amine
SMILESCCOc1nc(N)n(CCCOc2ccccc2)n1
InChIInChI=1S/C13H18N4O2/c1-2-18-13-15-12(14)17(16-13)9-6-10-19-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H2,14,15,16)
InChIKeyFCIWTJOHONMDPB-UHFFFAOYSA-N
XLogP1.73
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-(3-phenoxypropyl)pyrazol-3-amine
CID 63266275
2-[(3-chlorophenyl)methyl]-5-ethoxy-1,2,4-triazol-3-amine
CID 79872536
5-ethylsulfonyl-3-(3-phenoxypropyl)triazol-4-amine
CID 94945103
3,5-dibromo-1-(3-phenoxypropyl)pyrazole
CID 114692667
ethoxybenzene;propoxybenzene
CID 67747691
3-phenoxypropyl 4-oxo-3-pentylphthalazine-1-carboxylate
CID 55568775
5-methyl-1-(3-phenoxypropyl)benzimidazol-2-amine
CID 62378956
methyl 5-amino-1-(3-phenoxypropyl)triazole-4-carboxylate
CID 82209428
1-(3-phenoxypropyl)pyrazole
CID 55028379
1-methyl-4-(phenoxymethyl)imidazol-2-amine
CID 117191438
ethoxybenzene chloride
CID 21193593
6-bromo-3-(3-phenoxypropyl)imidazo[4,5-b]pyridin-2-amine
CID 79279143

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(3-phenoxypropyl)-1,2,4-triazol-3-amine?
The IUPAC name of 5-ethoxy-2-(3-phenoxypropyl)-1,2,4-triazol-3-amine (CID 79873461) is 5-ethoxy-2-(3-phenoxypropyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-ethoxy-2-(3-phenoxypropyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 5-ethoxy-2-(3-phenoxypropyl)-1,2,4-triazol-3-amine is CCOc1nc(N)n(CCCOc2ccccc2)n1.
What is the InChIKey of 5-ethoxy-2-(3-phenoxypropyl)-1,2,4-triazol-3-amine?
The InChIKey is FCIWTJOHONMDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-2-18-13-15-12(14)17(16-13)9-6-10-19-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H2,14,15,16).
What are the key properties of 5-ethoxy-2-(3-phenoxypropyl)-1,2,4-triazol-3-amine?
5-ethoxy-2-(3-phenoxypropyl)-1,2,4-triazol-3-amine has a molecular weight of 262.31 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(3-phenoxypropyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 79873461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).