2-(1H-1,2,4-triazol-5-yl)ethanamine;dihydrochloride

C4H10Cl2N4 — CID 19047800

IUPAC2-(1H-1,2,4-triazol-5-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCc1ncn[nH]1
InChIInChI=1S/C4H8N4.2ClH/c5-2-1-4-6-3-7-8-4;;/h3H,1-2,5H2,(H,6,7,8);2*1H
InChIKeyFNRKPGHBZYKMIQ-UHFFFAOYSA-N
MW185.06 g/mol
LogP0.15
Rot. Bonds2

About 2-(1H-1,2,4-triazol-5-yl)ethanamine;dihydrochloride

2-(1H-1,2,4-triazol-5-yl)ethanamine;dihydrochloride (PubChem CID 19047800) has the molecular formula C4H10Cl2N4 and a molecular weight of 185.06 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-yl)ethanamine;dihydrochloride
PubChem CID19047800
Molecular FormulaC4H10Cl2N4
Molecular Weight185.06 g/mol
Exact Mass184.03
IUPAC Name2-(1H-1,2,4-triazol-5-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCc1ncn[nH]1
InChIInChI=1S/C4H8N4.2ClH/c5-2-1-4-6-3-7-8-4;;/h3H,1-2,5H2,(H,6,7,8);2*1H
InChIKeyFNRKPGHBZYKMIQ-UHFFFAOYSA-N
XLogP0.15
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.06
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(1H-1,2,4-triazol-5-yl)ethanamine;dihydrochloride (CID 19047800) is 2-(1H-1,2,4-triazol-5-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-yl)ethanamine;dihydrochloride is Cl.Cl.NCCc1ncn[nH]1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-yl)ethanamine;dihydrochloride?
The InChIKey is FNRKPGHBZYKMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.2ClH/c5-2-1-4-6-3-7-8-4;;/h3H,1-2,5H2,(H,6,7,8);2*1H.
What are the key properties of 2-(1H-1,2,4-triazol-5-yl)ethanamine;dihydrochloride?
2-(1H-1,2,4-triazol-5-yl)ethanamine;dihydrochloride has a molecular weight of 185.06 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 19047800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).