3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine;dihydrochloride

C10H20Cl2N4O — CID 56773801

IUPAC3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine;dihydrochloride
SMILESCOCCc1nc(C2CCCNC2)n[nH]1.Cl.Cl
InChIInChI=1S/C10H18N4O.2ClH/c1-15-6-4-9-12-10(14-13-9)8-3-2-5-11-7-8;;/h8,11H,2-7H2,1H3,(H,12,13,14);2*1H
InChIKeyHPBFQIQZNKPUCY-UHFFFAOYSA-N
MW283.20 g/mol
LogP1.30
Rot. Bonds4

About 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine;dihydrochloride

3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine;dihydrochloride (PubChem CID 56773801) has the molecular formula C10H20Cl2N4O and a molecular weight of 283.20 g/mol. Its IUPAC name is 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine;dihydrochloride.

Molecular Properties

Compound Name3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine;dihydrochloride
PubChem CID56773801
Molecular FormulaC10H20Cl2N4O
Molecular Weight283.20 g/mol
Exact Mass282.10
IUPAC Name3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine;dihydrochloride
SMILESCOCCc1nc(C2CCCNC2)n[nH]1.Cl.Cl
InChIInChI=1S/C10H18N4O.2ClH/c1-15-6-4-9-12-10(14-13-9)8-3-2-5-11-7-8;;/h8,11H,2-7H2,1H3,(H,12,13,14);2*1H
InChIKeyHPBFQIQZNKPUCY-UHFFFAOYSA-N
XLogP1.30
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine;dihydrochloride?
The IUPAC name of 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine;dihydrochloride (CID 56773801) is 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine;dihydrochloride.
What is the SMILES notation for 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine;dihydrochloride?
The canonical SMILES for 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine;dihydrochloride is COCCc1nc(C2CCCNC2)n[nH]1.Cl.Cl.
What is the InChIKey of 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine;dihydrochloride?
The InChIKey is HPBFQIQZNKPUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O.2ClH/c1-15-6-4-9-12-10(14-13-9)8-3-2-5-11-7-8;;/h8,11H,2-7H2,1H3,(H,12,13,14);2*1H.
What are the key properties of 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine;dihydrochloride?
3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine;dihydrochloride has a molecular weight of 283.20 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidine;dihydrochloride is sourced from PubChem (CID 56773801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).