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

C6H13N5 — CID 114419716

IUPAC1-[1-(2-aminoethyl)triazol-4-yl]ethanamine
SMILESCC(N)c1cn(CCN)nn1
InChIInChI=1S/C6H13N5/c1-5(8)6-4-11(3-2-7)10-9-6/h4-5H,2-3,7-8H2,1H3
InChIKeyWXHKYVJSYVNXQL-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.74
Rot. Bonds3

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

1-[1-(2-aminoethyl)triazol-4-yl]ethanamine (PubChem CID 114419716) has the molecular formula C6H13N5 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-[1-(2-aminoethyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-aminoethyl)triazol-4-yl]ethanamine
PubChem CID114419716
Molecular FormulaC6H13N5
Molecular Weight155.20 g/mol
Exact Mass155.12
IUPAC Name1-[1-(2-aminoethyl)triazol-4-yl]ethanamine
SMILESCC(N)c1cn(CCN)nn1
InChIInChI=1S/C6H13N5/c1-5(8)6-4-11(3-2-7)10-9-6/h4-5H,2-3,7-8H2,1H3
InChIKeyWXHKYVJSYVNXQL-UHFFFAOYSA-N
XLogP-0.74
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminoethyl)triazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(2-aminoethyl)triazol-4-yl]ethanamine (CID 114419716) is 1-[1-(2-aminoethyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-aminoethyl)triazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(2-aminoethyl)triazol-4-yl]ethanamine is CC(N)c1cn(CCN)nn1.
What is the InChIKey of 1-[1-(2-aminoethyl)triazol-4-yl]ethanamine?
The InChIKey is WXHKYVJSYVNXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5/c1-5(8)6-4-11(3-2-7)10-9-6/h4-5H,2-3,7-8H2,1H3.
What are the key properties of 1-[1-(2-aminoethyl)triazol-4-yl]ethanamine?
1-[1-(2-aminoethyl)triazol-4-yl]ethanamine has a molecular weight of 155.20 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminoethyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 114419716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).