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

C6H13ClN4 — CID 71757605

IUPAC1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride
SMILESCCc1nc(C(C)N)n[nH]1.Cl
InChIInChI=1S/C6H12N4.ClH/c1-3-5-8-6(4(2)7)10-9-5;/h4H,3,7H2,1-2H3,(H,8,9,10);1H
InChIKeyUCMLXOHDHCJRBF-UHFFFAOYSA-N
MW176.65 g/mol
LogP0.81
Rot. Bonds2

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

1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride (PubChem CID 71757605) has the molecular formula C6H13ClN4 and a molecular weight of 176.65 g/mol. Its IUPAC name is 1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride
PubChem CID71757605
Molecular FormulaC6H13ClN4
Molecular Weight176.65 g/mol
Exact Mass176.08
IUPAC Name1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride
SMILESCCc1nc(C(C)N)n[nH]1.Cl
InChIInChI=1S/C6H12N4.ClH/c1-3-5-8-6(4(2)7)10-9-5;/h4H,3,7H2,1-2H3,(H,8,9,10);1H
InChIKeyUCMLXOHDHCJRBF-UHFFFAOYSA-N
XLogP0.81
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride (CID 71757605) is 1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride is CCc1nc(C(C)N)n[nH]1.Cl.
What is the InChIKey of 1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride?
The InChIKey is UCMLXOHDHCJRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4.ClH/c1-3-5-8-6(4(2)7)10-9-5;/h4H,3,7H2,1-2H3,(H,8,9,10);1H.
What are the key properties of 1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride?
1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride has a molecular weight of 176.65 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 71757605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).