1-[1-(3-ethoxypropyl)triazol-4-yl]ethanamine

C9H18N4O — CID 114420179

IUPAC1-[1-(3-ethoxypropyl)triazol-4-yl]ethanamine
SMILESCCOCCCn1cc(C(C)N)nn1
InChIInChI=1S/C9H18N4O/c1-3-14-6-4-5-13-7-9(8(2)10)11-12-13/h7-8H,3-6,10H2,1-2H3
InChIKeyGGOBPMMCZPQBJS-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.72
Rot. Bonds6

About 1-[1-(3-ethoxypropyl)triazol-4-yl]ethanamine

1-[1-(3-ethoxypropyl)triazol-4-yl]ethanamine (PubChem CID 114420179) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[1-(3-ethoxypropyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-ethoxypropyl)triazol-4-yl]ethanamine
PubChem CID114420179
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name1-[1-(3-ethoxypropyl)triazol-4-yl]ethanamine
SMILESCCOCCCn1cc(C(C)N)nn1
InChIInChI=1S/C9H18N4O/c1-3-14-6-4-5-13-7-9(8(2)10)11-12-13/h7-8H,3-6,10H2,1-2H3
InChIKeyGGOBPMMCZPQBJS-UHFFFAOYSA-N
XLogP0.72
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.72
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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Related Compounds

4-(1-bromoethyl)-1-(3-ethoxypropyl)triazole
CID 81449816
3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine
CID 114419828
1-[1-(2-methoxyethyl)triazol-4-yl]ethanamine
CID 114420137
1-[1-(3-ethylsulfanylpropyl)triazol-4-yl]ethanamine
CID 114419560
1-[1-(2-aminoethyl)triazol-4-yl]ethanamine
CID 114419716
1-[1-[3-(3,4-dimethylphenoxy)propyl]triazol-4-yl]ethanamine
CID 114419864
4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol
CID 114419575
1-[1-[2-(3,5-dimethylphenoxy)ethyl]triazol-4-yl]ethanamine
CID 114419673
1-[1-(2-methylsulfonylethyl)triazol-4-yl]ethanamine
CID 114419540
1-[1-(2-propylsulfonylethyl)triazol-4-yl]ethanamine
CID 106729351
4-(1-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]triazole
CID 103412254
4-(1-chloroethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]triazole
CID 81449621

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethoxypropyl)triazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(3-ethoxypropyl)triazol-4-yl]ethanamine (CID 114420179) is 1-[1-(3-ethoxypropyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(3-ethoxypropyl)triazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(3-ethoxypropyl)triazol-4-yl]ethanamine is CCOCCCn1cc(C(C)N)nn1.
What is the InChIKey of 1-[1-(3-ethoxypropyl)triazol-4-yl]ethanamine?
The InChIKey is GGOBPMMCZPQBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-3-14-6-4-5-13-7-9(8(2)10)11-12-13/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 1-[1-(3-ethoxypropyl)triazol-4-yl]ethanamine?
1-[1-(3-ethoxypropyl)triazol-4-yl]ethanamine has a molecular weight of 198.27 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethoxypropyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 114420179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).