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

C4H9ClN4 — CID 50988733

IUPAC2-(1,2,4-triazol-1-yl)ethanamine;hydrochloride
SMILESCl.NCCn1cncn1
InChIInChI=1S/C4H8N4.ClH/c5-1-2-8-4-6-3-7-8;/h3-4H,1-2,5H2;1H
InChIKeyITTMYLROCFFGRE-UHFFFAOYSA-N
MW148.60 g/mol
LogP-0.34
Rot. Bonds2

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

2-(1,2,4-triazol-1-yl)ethanamine;hydrochloride (PubChem CID 50988733) has the molecular formula C4H9ClN4 and a molecular weight of 148.60 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)ethanamine;hydrochloride
PubChem CID50988733
Molecular FormulaC4H9ClN4
Molecular Weight148.60 g/mol
Exact Mass148.05
IUPAC Name2-(1,2,4-triazol-1-yl)ethanamine;hydrochloride
SMILESCl.NCCn1cncn1
InChIInChI=1S/C4H8N4.ClH/c5-1-2-8-4-6-3-7-8;/h3-4H,1-2,5H2;1H
InChIKeyITTMYLROCFFGRE-UHFFFAOYSA-N
XLogP-0.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.60
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(1,2,4-triazol-1-yl)ethanamine;hydrochloride (CID 50988733) is 2-(1,2,4-triazol-1-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)ethanamine;hydrochloride is Cl.NCCn1cncn1.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)ethanamine;hydrochloride?
The InChIKey is ITTMYLROCFFGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.ClH/c5-1-2-8-4-6-3-7-8;/h3-4H,1-2,5H2;1H.
What are the key properties of 2-(1,2,4-triazol-1-yl)ethanamine;hydrochloride?
2-(1,2,4-triazol-1-yl)ethanamine;hydrochloride has a molecular weight of 148.60 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-1-yl)ethanamine;hydrochloride is sourced from PubChem (CID 50988733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).