2-(5-methyl-2H-triazol-4-yl)ethanamine;dihydrochloride

C5H12Cl2N4 — CID 122424038

IUPAC2-(5-methyl-2H-triazol-4-yl)ethanamine;dihydrochloride
SMILESCc1n[nH]nc1CCN.Cl.Cl
InChIInChI=1S/C5H10N4.2ClH/c1-4-5(2-3-6)8-9-7-4;;/h2-3,6H2,1H3,(H,7,8,9);2*1H
InChIKeyBVWUSPZARBDCIS-UHFFFAOYSA-N
MW199.08 g/mol
LogP0.46
Rot. Bonds2

About 2-(5-methyl-2H-triazol-4-yl)ethanamine;dihydrochloride

2-(5-methyl-2H-triazol-4-yl)ethanamine;dihydrochloride (PubChem CID 122424038) has the molecular formula C5H12Cl2N4 and a molecular weight of 199.08 g/mol. Its IUPAC name is 2-(5-methyl-2H-triazol-4-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(5-methyl-2H-triazol-4-yl)ethanamine;dihydrochloride
PubChem CID122424038
Molecular FormulaC5H12Cl2N4
Molecular Weight199.08 g/mol
Exact Mass198.04
IUPAC Name2-(5-methyl-2H-triazol-4-yl)ethanamine;dihydrochloride
SMILESCc1n[nH]nc1CCN.Cl.Cl
InChIInChI=1S/C5H10N4.2ClH/c1-4-5(2-3-6)8-9-7-4;;/h2-3,6H2,1H3,(H,7,8,9);2*1H
InChIKeyBVWUSPZARBDCIS-UHFFFAOYSA-N
XLogP0.46
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.08
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2H-triazol-4-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(5-methyl-2H-triazol-4-yl)ethanamine;dihydrochloride (CID 122424038) is 2-(5-methyl-2H-triazol-4-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(5-methyl-2H-triazol-4-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(5-methyl-2H-triazol-4-yl)ethanamine;dihydrochloride is Cc1n[nH]nc1CCN.Cl.Cl.
What is the InChIKey of 2-(5-methyl-2H-triazol-4-yl)ethanamine;dihydrochloride?
The InChIKey is BVWUSPZARBDCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4.2ClH/c1-4-5(2-3-6)8-9-7-4;;/h2-3,6H2,1H3,(H,7,8,9);2*1H.
What are the key properties of 2-(5-methyl-2H-triazol-4-yl)ethanamine;dihydrochloride?
2-(5-methyl-2H-triazol-4-yl)ethanamine;dihydrochloride has a molecular weight of 199.08 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2H-triazol-4-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 122424038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).