1-[1-(2-methoxyethyl)triazol-4-yl]ethanamine

C7H14N4O — CID 114420137

IUPAC1-[1-(2-methoxyethyl)triazol-4-yl]ethanamine
SMILESCOCCn1cc(C(C)N)nn1
InChIInChI=1S/C7H14N4O/c1-6(8)7-5-11(10-9-7)3-4-12-2/h5-6H,3-4,8H2,1-2H3
InChIKeyPHHTXELCSGROMG-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.06
Rot. Bonds4

About 1-[1-(2-methoxyethyl)triazol-4-yl]ethanamine

1-[1-(2-methoxyethyl)triazol-4-yl]ethanamine (PubChem CID 114420137) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)triazol-4-yl]ethanamine
PubChem CID114420137
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name1-[1-(2-methoxyethyl)triazol-4-yl]ethanamine
SMILESCOCCn1cc(C(C)N)nn1
InChIInChI=1S/C7H14N4O/c1-6(8)7-5-11(10-9-7)3-4-12-2/h5-6H,3-4,8H2,1-2H3
InChIKeyPHHTXELCSGROMG-UHFFFAOYSA-N
XLogP-0.06
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-aminoethyl)triazol-4-yl]ethanamine
CID 114419716
1-[1-(3-ethoxypropyl)triazol-4-yl]ethanamine
CID 114420179
1-[1-[2-(3,5-dimethylphenoxy)ethyl]triazol-4-yl]ethanamine
CID 114419673
4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol
CID 114419575
3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine
CID 114419828
1-[1-(2-methylsulfonylethyl)triazol-4-yl]ethanamine
CID 114419540
1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol
CID 114419408
1-[1-(3-ethylsulfanylpropyl)triazol-4-yl]ethanamine
CID 114419560
1-[1-[3-(3,4-dimethylphenoxy)propyl]triazol-4-yl]ethanamine
CID 114419864
1-[1-(2-propylsulfonylethyl)triazol-4-yl]ethanamine
CID 106729351
3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 114420013
2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid
CID 96739590

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)triazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(2-methoxyethyl)triazol-4-yl]ethanamine (CID 114420137) is 1-[1-(2-methoxyethyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-methoxyethyl)triazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(2-methoxyethyl)triazol-4-yl]ethanamine is COCCn1cc(C(C)N)nn1.
What is the InChIKey of 1-[1-(2-methoxyethyl)triazol-4-yl]ethanamine?
The InChIKey is PHHTXELCSGROMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-6(8)7-5-11(10-9-7)3-4-12-2/h5-6H,3-4,8H2,1-2H3.
What are the key properties of 1-[1-(2-methoxyethyl)triazol-4-yl]ethanamine?
1-[1-(2-methoxyethyl)triazol-4-yl]ethanamine has a molecular weight of 170.22 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 114420137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).