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

C5H11ClN4 — CID 112756643

IUPAC1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride
SMILESCc1nc(C(C)N)n[nH]1.Cl
InChIInChI=1S/C5H10N4.ClH/c1-3(6)5-7-4(2)8-9-5;/h3H,6H2,1-2H3,(H,7,8,9);1H
InChIKeyQYPVABKBDFMNQX-UHFFFAOYSA-N
MW162.62 g/mol
LogP0.55
Rot. Bonds1

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

1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride (PubChem CID 112756643) has the molecular formula C5H11ClN4 and a molecular weight of 162.62 g/mol. Its IUPAC name is 1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride
PubChem CID112756643
Molecular FormulaC5H11ClN4
Molecular Weight162.62 g/mol
Exact Mass162.07
IUPAC Name1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride
SMILESCc1nc(C(C)N)n[nH]1.Cl
InChIInChI=1S/C5H10N4.ClH/c1-3(6)5-7-4(2)8-9-5;/h3H,6H2,1-2H3,(H,7,8,9);1H
InChIKeyQYPVABKBDFMNQX-UHFFFAOYSA-N
XLogP0.55
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride (CID 112756643) is 1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride is Cc1nc(C(C)N)n[nH]1.Cl.
What is the InChIKey of 1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride?
The InChIKey is QYPVABKBDFMNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4.ClH/c1-3(6)5-7-4(2)8-9-5;/h3H,6H2,1-2H3,(H,7,8,9);1H.
What are the key properties of 1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride?
1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride has a molecular weight of 162.62 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 112756643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).