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

C7H14N4O — CID 16766593

IUPAC1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCOCCn1cnnc1C(C)N
InChIInChI=1S/C7H14N4O/c1-6(8)7-10-9-5-11(7)3-4-12-2/h5-6H,3-4,8H2,1-2H3
InChIKeyHXCYXHDIFPGSHJ-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.06
Rot. Bonds4

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

1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 16766593) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID16766593
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCOCCn1cnnc1C(C)N
InChIInChI=1S/C7H14N4O/c1-6(8)7-10-9-5-11(7)3-4-12-2/h5-6H,3-4,8H2,1-2H3
InChIKeyHXCYXHDIFPGSHJ-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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine (CID 16766593) is 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine is COCCn1cnnc1C(C)N.
What is the InChIKey of 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is HXCYXHDIFPGSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-6(8)7-10-9-5-11(7)3-4-12-2/h5-6H,3-4,8H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine?
1-[4-(2-methoxyethyl)-1,2,4-triazol-3-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-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 16766593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).