2-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride

C6H13ClN4 — CID 16682443

IUPAC2-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride
SMILESCCc1n[nH]c(CCN)n1.Cl
InChIInChI=1S/C6H12N4.ClH/c1-2-5-8-6(3-4-7)10-9-5;/h2-4,7H2,1H3,(H,8,9,10);1H
InChIKeyWPFFVRYRUZBYAK-UHFFFAOYSA-N
MW176.65 g/mol
LogP0.29
Rot. Bonds3

About 2-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride

2-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride (PubChem CID 16682443) has the molecular formula C6H13ClN4 and a molecular weight of 176.65 g/mol. Its IUPAC name is 2-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride
PubChem CID16682443
Molecular FormulaC6H13ClN4
Molecular Weight176.65 g/mol
Exact Mass176.08
IUPAC Name2-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride
SMILESCCc1n[nH]c(CCN)n1.Cl
InChIInChI=1S/C6H12N4.ClH/c1-2-5-8-6(3-4-7)10-9-5;/h2-4,7H2,1H3,(H,8,9,10);1H
InChIKeyWPFFVRYRUZBYAK-UHFFFAOYSA-N
XLogP0.29
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride (CID 16682443) is 2-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride is CCc1n[nH]c(CCN)n1.Cl.
What is the InChIKey of 2-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride?
The InChIKey is WPFFVRYRUZBYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4.ClH/c1-2-5-8-6(3-4-7)10-9-5;/h2-4,7H2,1H3,(H,8,9,10);1H.
What are the key properties of 2-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride?
2-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride has a molecular weight of 176.65 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 16682443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).