2-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride

C4H9ClN4 — CID 54595645

IUPAC2-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride
SMILESCl.NCCc1ncn[nH]1
InChIInChI=1S/C4H8N4.ClH/c5-2-1-4-6-3-7-8-4;/h3H,1-2,5H2,(H,6,7,8);1H
InChIKeyZUFDPYQPYMTUTR-UHFFFAOYSA-N
MW148.60 g/mol
LogP-0.27
Rot. Bonds2

About 2-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride

2-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride (PubChem CID 54595645) has the molecular formula C4H9ClN4 and a molecular weight of 148.60 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride
PubChem CID54595645
Molecular FormulaC4H9ClN4
Molecular Weight148.60 g/mol
Exact Mass148.05
IUPAC Name2-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride
SMILESCl.NCCc1ncn[nH]1
InChIInChI=1S/C4H8N4.ClH/c5-2-1-4-6-3-7-8-4;/h3H,1-2,5H2,(H,6,7,8);1H
InChIKeyZUFDPYQPYMTUTR-UHFFFAOYSA-N
XLogP-0.27
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.60
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride (CID 54595645) is 2-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride is Cl.NCCc1ncn[nH]1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride?
The InChIKey is ZUFDPYQPYMTUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.ClH/c5-2-1-4-6-3-7-8-4;/h3H,1-2,5H2,(H,6,7,8);1H.
What are the key properties of 2-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride?
2-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride has a molecular weight of 148.60 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 54595645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).