2-(4-ethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride

C6H14Cl2N4 — CID 50988341

IUPAC2-(4-ethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride
SMILESCCn1cnnc1CCN.Cl.Cl
InChIInChI=1S/C6H12N4.2ClH/c1-2-10-5-8-9-6(10)3-4-7;;/h5H,2-4,7H2,1H3;2*1H
InChIKeyJVLCQIDUCMEURJ-UHFFFAOYSA-N
MW213.11 g/mol
LogP0.64
Rot. Bonds3

About 2-(4-ethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride

2-(4-ethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride (PubChem CID 50988341) has the molecular formula C6H14Cl2N4 and a molecular weight of 213.11 g/mol. Its IUPAC name is 2-(4-ethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(4-ethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride
PubChem CID50988341
Molecular FormulaC6H14Cl2N4
Molecular Weight213.11 g/mol
Exact Mass212.06
IUPAC Name2-(4-ethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride
SMILESCCn1cnnc1CCN.Cl.Cl
InChIInChI=1S/C6H12N4.2ClH/c1-2-10-5-8-9-6(10)3-4-7;;/h5H,2-4,7H2,1H3;2*1H
InChIKeyJVLCQIDUCMEURJ-UHFFFAOYSA-N
XLogP0.64
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.11
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(4-ethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride (CID 50988341) is 2-(4-ethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(4-ethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(4-ethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride is CCn1cnnc1CCN.Cl.Cl.
What is the InChIKey of 2-(4-ethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride?
The InChIKey is JVLCQIDUCMEURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4.2ClH/c1-2-10-5-8-9-6(10)3-4-7;;/h5H,2-4,7H2,1H3;2*1H.
What are the key properties of 2-(4-ethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride?
2-(4-ethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride has a molecular weight of 213.11 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 50988341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).