2-(1,2,4-triazol-1-yl)ethanamine;dihydrobromide

C4H10Br2N4 — CID 71779136

IUPAC2-(1,2,4-triazol-1-yl)ethanamine;dihydrobromide
SMILESBr.Br.NCCn1cncn1
InChIInChI=1S/C4H8N4.2BrH/c5-1-2-8-4-6-3-7-8;;/h3-4H,1-2,5H2;2*1H
InChIKeySQFPYAASNAETMS-UHFFFAOYSA-N
MW273.96 g/mol
LogP0.39
Rot. Bonds2

About 2-(1,2,4-triazol-1-yl)ethanamine;dihydrobromide

2-(1,2,4-triazol-1-yl)ethanamine;dihydrobromide (PubChem CID 71779136) has the molecular formula C4H10Br2N4 and a molecular weight of 273.96 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)ethanamine;dihydrobromide.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)ethanamine;dihydrobromide
PubChem CID71779136
Molecular FormulaC4H10Br2N4
Molecular Weight273.96 g/mol
Exact Mass271.93
IUPAC Name2-(1,2,4-triazol-1-yl)ethanamine;dihydrobromide
SMILESBr.Br.NCCn1cncn1
InChIInChI=1S/C4H8N4.2BrH/c5-1-2-8-4-6-3-7-8;;/h3-4H,1-2,5H2;2*1H
InChIKeySQFPYAASNAETMS-UHFFFAOYSA-N
XLogP0.39
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.96
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-yl)ethanamine;dihydrobromide?
The IUPAC name of 2-(1,2,4-triazol-1-yl)ethanamine;dihydrobromide (CID 71779136) is 2-(1,2,4-triazol-1-yl)ethanamine;dihydrobromide.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)ethanamine;dihydrobromide?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)ethanamine;dihydrobromide is Br.Br.NCCn1cncn1.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)ethanamine;dihydrobromide?
The InChIKey is SQFPYAASNAETMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.2BrH/c5-1-2-8-4-6-3-7-8;;/h3-4H,1-2,5H2;2*1H.
What are the key properties of 2-(1,2,4-triazol-1-yl)ethanamine;dihydrobromide?
2-(1,2,4-triazol-1-yl)ethanamine;dihydrobromide has a molecular weight of 273.96 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-1-yl)ethanamine;dihydrobromide is sourced from PubChem (CID 71779136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).