2-[3-(2-methoxyethyl)-1H-1,2,4-triazol-5-yl]ethanamine

C7H14N4O — CID 62950744

IUPAC2-[3-(2-methoxyethyl)-1H-1,2,4-triazol-5-yl]ethanamine
SMILESCOCCc1n[nH]c(CCN)n1
InChIInChI=1S/C7H14N4O/c1-12-5-3-7-9-6(2-4-8)10-11-7/h2-5,8H2,1H3,(H,9,10,11)
InChIKeyLGWOCWGDHMCTDW-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.51
Rot. Bonds5

About 2-[3-(2-methoxyethyl)-1H-1,2,4-triazol-5-yl]ethanamine

2-[3-(2-methoxyethyl)-1H-1,2,4-triazol-5-yl]ethanamine (PubChem CID 62950744) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 2-[3-(2-methoxyethyl)-1H-1,2,4-triazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-methoxyethyl)-1H-1,2,4-triazol-5-yl]ethanamine
PubChem CID62950744
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name2-[3-(2-methoxyethyl)-1H-1,2,4-triazol-5-yl]ethanamine
SMILESCOCCc1n[nH]c(CCN)n1
InChIInChI=1S/C7H14N4O/c1-12-5-3-7-9-6(2-4-8)10-11-7/h2-5,8H2,1H3,(H,9,10,11)
InChIKeyLGWOCWGDHMCTDW-UHFFFAOYSA-N
XLogP-0.51
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[2-(2-methoxyethoxy)ethyl]-1H-1,2,4-triazol-5-yl]methanol
CID 102929347
2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 61412753
3-[3-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 103150847
tert-butyl N-[2-[5-(2-aminoethyl)-1H-1,2,4-triazol-3-yl]ethyl]carbamate
CID 66486680
2-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethanamine
CID 62950738
[3-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-5-yl]methanamine
CID 103150841
[3-(2-phenoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 82568163
2-[5-[(5-fluoro-2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethanamine
CID 96663708
5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazole
CID 103208740
[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanol
CID 79600717
ethyl 5-(2-aminoethyl)-1H-1,2,4-triazole-3-carboxylate
CID 10513155
2-[3-(2-methylcyclopropyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 65420230

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(2-methoxyethyl)-1H-1,2,4-triazol-5-yl]ethanamine (CID 62950744) is 2-[3-(2-methoxyethyl)-1H-1,2,4-triazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(2-methoxyethyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(2-methoxyethyl)-1H-1,2,4-triazol-5-yl]ethanamine is COCCc1n[nH]c(CCN)n1.
What is the InChIKey of 2-[3-(2-methoxyethyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The InChIKey is LGWOCWGDHMCTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-12-5-3-7-9-6(2-4-8)10-11-7/h2-5,8H2,1H3,(H,9,10,11).
What are the key properties of 2-[3-(2-methoxyethyl)-1H-1,2,4-triazol-5-yl]ethanamine?
2-[3-(2-methoxyethyl)-1H-1,2,4-triazol-5-yl]ethanamine has a molecular weight of 170.22 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethyl)-1H-1,2,4-triazol-5-yl]ethanamine is sourced from PubChem (CID 62950744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).