1-(1,2,4-triazol-4-yl)ethanamine

C4H8N4 — CID 18375522

IUPAC1-(1,2,4-triazol-4-yl)ethanamine
SMILESCC(N)n1cnnc1
InChIInChI=1S/C4H8N4/c1-4(5)8-2-6-7-3-8/h2-4H,5H2,1H3
InChIKeyONIYPDDTAVEVRY-UHFFFAOYSA-N
MW112.14 g/mol
LogP-0.24
Rot. Bonds1

About 1-(1,2,4-triazol-4-yl)ethanamine

1-(1,2,4-triazol-4-yl)ethanamine (PubChem CID 18375522) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is 1-(1,2,4-triazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1,2,4-triazol-4-yl)ethanamine
PubChem CID18375522
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC Name1-(1,2,4-triazol-4-yl)ethanamine
SMILESCC(N)n1cnnc1
InChIInChI=1S/C4H8N4/c1-4(5)8-2-6-7-3-8/h2-4H,5H2,1H3
InChIKeyONIYPDDTAVEVRY-UHFFFAOYSA-N
XLogP-0.24
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-triazol-4-yl)ethanamine?
The IUPAC name of 1-(1,2,4-triazol-4-yl)ethanamine (CID 18375522) is 1-(1,2,4-triazol-4-yl)ethanamine.
What is the SMILES notation for 1-(1,2,4-triazol-4-yl)ethanamine?
The canonical SMILES for 1-(1,2,4-triazol-4-yl)ethanamine is CC(N)n1cnnc1.
What is the InChIKey of 1-(1,2,4-triazol-4-yl)ethanamine?
The InChIKey is ONIYPDDTAVEVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c1-4(5)8-2-6-7-3-8/h2-4H,5H2,1H3.
What are the key properties of 1-(1,2,4-triazol-4-yl)ethanamine?
1-(1,2,4-triazol-4-yl)ethanamine has a molecular weight of 112.14 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-triazol-4-yl)ethanamine is sourced from PubChem (CID 18375522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).