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

C4H10Cl2N4 — CID 44717117

IUPAC2-(1,2,4-triazol-4-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCn1cnnc1
InChIInChI=1S/C4H8N4.2ClH/c5-1-2-8-3-6-7-4-8;;/h3-4H,1-2,5H2;2*1H
InChIKeySHTQWIDZMOYCKG-UHFFFAOYSA-N
MW185.06 g/mol
LogP0.08
Rot. Bonds2

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

2-(1,2,4-triazol-4-yl)ethanamine;dihydrochloride (PubChem CID 44717117) has the molecular formula C4H10Cl2N4 and a molecular weight of 185.06 g/mol. Its IUPAC name is 2-(1,2,4-triazol-4-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(1,2,4-triazol-4-yl)ethanamine;dihydrochloride
PubChem CID44717117
Molecular FormulaC4H10Cl2N4
Molecular Weight185.06 g/mol
Exact Mass184.03
IUPAC Name2-(1,2,4-triazol-4-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCn1cnnc1
InChIInChI=1S/C4H8N4.2ClH/c5-1-2-8-3-6-7-4-8;;/h3-4H,1-2,5H2;2*1H
InChIKeySHTQWIDZMOYCKG-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-(1,2,4-triazol-4-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(1,2,4-triazol-4-yl)ethanamine;dihydrochloride (CID 44717117) is 2-(1,2,4-triazol-4-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(1,2,4-triazol-4-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(1,2,4-triazol-4-yl)ethanamine;dihydrochloride is Cl.Cl.NCCn1cnnc1.
What is the InChIKey of 2-(1,2,4-triazol-4-yl)ethanamine;dihydrochloride?
The InChIKey is SHTQWIDZMOYCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.2ClH/c5-1-2-8-3-6-7-4-8;;/h3-4H,1-2,5H2;2*1H.
What are the key properties of 2-(1,2,4-triazol-4-yl)ethanamine;dihydrochloride?
2-(1,2,4-triazol-4-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-(1,2,4-triazol-4-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 44717117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).