2-(4-ethyl-1,2,4-triazol-3-yl)-2-methoxyethanamine

C7H14N4O — CID 106110826

IUPAC2-(4-ethyl-1,2,4-triazol-3-yl)-2-methoxyethanamine
SMILESCCn1cnnc1C(CN)OC
InChIInChI=1S/C7H14N4O/c1-3-11-5-9-10-7(11)6(4-8)12-2/h5-6H,3-4,8H2,1-2H3
InChIKeySBGSYMJZRSGDHC-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.06
Rot. Bonds4

About 2-(4-ethyl-1,2,4-triazol-3-yl)-2-methoxyethanamine

2-(4-ethyl-1,2,4-triazol-3-yl)-2-methoxyethanamine (PubChem CID 106110826) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 2-(4-ethyl-1,2,4-triazol-3-yl)-2-methoxyethanamine.

Molecular Properties

Compound Name2-(4-ethyl-1,2,4-triazol-3-yl)-2-methoxyethanamine
PubChem CID106110826
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name2-(4-ethyl-1,2,4-triazol-3-yl)-2-methoxyethanamine
SMILESCCn1cnnc1C(CN)OC
InChIInChI=1S/C7H14N4O/c1-3-11-5-9-10-7(11)6(4-8)12-2/h5-6H,3-4,8H2,1-2H3
InChIKeySBGSYMJZRSGDHC-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 2-(4-ethyl-1,2,4-triazol-3-yl)-2-methoxyethanamine?
The IUPAC name of 2-(4-ethyl-1,2,4-triazol-3-yl)-2-methoxyethanamine (CID 106110826) is 2-(4-ethyl-1,2,4-triazol-3-yl)-2-methoxyethanamine.
What is the SMILES notation for 2-(4-ethyl-1,2,4-triazol-3-yl)-2-methoxyethanamine?
The canonical SMILES for 2-(4-ethyl-1,2,4-triazol-3-yl)-2-methoxyethanamine is CCn1cnnc1C(CN)OC.
What is the InChIKey of 2-(4-ethyl-1,2,4-triazol-3-yl)-2-methoxyethanamine?
The InChIKey is SBGSYMJZRSGDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-3-11-5-9-10-7(11)6(4-8)12-2/h5-6H,3-4,8H2,1-2H3.
What are the key properties of 2-(4-ethyl-1,2,4-triazol-3-yl)-2-methoxyethanamine?
2-(4-ethyl-1,2,4-triazol-3-yl)-2-methoxyethanamine 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 2-(4-ethyl-1,2,4-triazol-3-yl)-2-methoxyethanamine is sourced from PubChem (CID 106110826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).