2-(2H-triazol-4-yl)ethanamine

C4H8N4 — CID 22639445

IUPAC2-(2H-triazol-4-yl)ethanamine
SMILESNCCc1cn[nH]n1
InChIInChI=1S/C4H8N4/c5-2-1-4-3-6-8-7-4/h3H,1-2,5H2,(H,6,7,8)
InChIKeyAABPWPFQPIDMQQ-UHFFFAOYSA-N
MW112.14 g/mol
LogP-0.69
Rot. Bonds2

About 2-(2H-triazol-4-yl)ethanamine

2-(2H-triazol-4-yl)ethanamine (PubChem CID 22639445) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is 2-(2H-triazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2H-triazol-4-yl)ethanamine
PubChem CID22639445
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC Name2-(2H-triazol-4-yl)ethanamine
SMILESNCCc1cn[nH]n1
InChIInChI=1S/C4H8N4/c5-2-1-4-3-6-8-7-4/h3H,1-2,5H2,(H,6,7,8)
InChIKeyAABPWPFQPIDMQQ-UHFFFAOYSA-N
XLogP-0.69
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-triazol-4-yl)ethanamine?
The IUPAC name of 2-(2H-triazol-4-yl)ethanamine (CID 22639445) is 2-(2H-triazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2H-triazol-4-yl)ethanamine?
The canonical SMILES for 2-(2H-triazol-4-yl)ethanamine is NCCc1cn[nH]n1.
What is the InChIKey of 2-(2H-triazol-4-yl)ethanamine?
The InChIKey is AABPWPFQPIDMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c5-2-1-4-3-6-8-7-4/h3H,1-2,5H2,(H,6,7,8).
What are the key properties of 2-(2H-triazol-4-yl)ethanamine?
2-(2H-triazol-4-yl)ethanamine has a molecular weight of 112.14 g/mol, XLogP of -0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-triazol-4-yl)ethanamine is sourced from PubChem (CID 22639445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).