2-(triazol-1-yl)ethanamine;dihydrochloride

C4H10Cl2N4 — CID 122156614

IUPAC2-(triazol-1-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCn1ccnn1
InChIInChI=1S/C4H8N4.2ClH/c5-1-3-8-4-2-6-7-8;;/h2,4H,1,3,5H2;2*1H
InChIKeyMDYAVFVSSCFUHY-UHFFFAOYSA-N
MW185.06 g/mol
LogP0.08
Rot. Bonds2

About 2-(triazol-1-yl)ethanamine;dihydrochloride

2-(triazol-1-yl)ethanamine;dihydrochloride (PubChem CID 122156614) has the molecular formula C4H10Cl2N4 and a molecular weight of 185.06 g/mol. Its IUPAC name is 2-(triazol-1-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(triazol-1-yl)ethanamine;dihydrochloride
PubChem CID122156614
Molecular FormulaC4H10Cl2N4
Molecular Weight185.06 g/mol
Exact Mass184.03
IUPAC Name2-(triazol-1-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCn1ccnn1
InChIInChI=1S/C4H8N4.2ClH/c5-1-3-8-4-2-6-7-8;;/h2,4H,1,3,5H2;2*1H
InChIKeyMDYAVFVSSCFUHY-UHFFFAOYSA-N
XLogP0.08
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.06
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(triazol-1-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(triazol-1-yl)ethanamine;dihydrochloride (CID 122156614) is 2-(triazol-1-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(triazol-1-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(triazol-1-yl)ethanamine;dihydrochloride is Cl.Cl.NCCn1ccnn1.
What is the InChIKey of 2-(triazol-1-yl)ethanamine;dihydrochloride?
The InChIKey is MDYAVFVSSCFUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.2ClH/c5-1-3-8-4-2-6-7-8;;/h2,4H,1,3,5H2;2*1H.
What are the key properties of 2-(triazol-1-yl)ethanamine;dihydrochloride?
2-(triazol-1-yl)ethanamine;dihydrochloride has a molecular weight of 185.06 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triazol-1-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 122156614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).