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

C7H14Cl2N4 — CID 75531027

IUPAC4-(1,2,4-triazol-4-yl)piperidine;dihydrochloride
SMILESCl.Cl.c1nncn1C1CCNCC1
InChIInChI=1S/C7H12N4.2ClH/c1-3-8-4-2-7(1)11-5-9-10-6-11;;/h5-8H,1-4H2;2*1H
InChIKeyJBYQNIAHNRQKBD-UHFFFAOYSA-N
MW225.12 g/mol
LogP1.05
Rot. Bonds1

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

4-(1,2,4-triazol-4-yl)piperidine;dihydrochloride (PubChem CID 75531027) has the molecular formula C7H14Cl2N4 and a molecular weight of 225.12 g/mol. Its IUPAC name is 4-(1,2,4-triazol-4-yl)piperidine;dihydrochloride.

Molecular Properties

Compound Name4-(1,2,4-triazol-4-yl)piperidine;dihydrochloride
PubChem CID75531027
Molecular FormulaC7H14Cl2N4
Molecular Weight225.12 g/mol
Exact Mass224.06
IUPAC Name4-(1,2,4-triazol-4-yl)piperidine;dihydrochloride
SMILESCl.Cl.c1nncn1C1CCNCC1
InChIInChI=1S/C7H12N4.2ClH/c1-3-8-4-2-7(1)11-5-9-10-6-11;;/h5-8H,1-4H2;2*1H
InChIKeyJBYQNIAHNRQKBD-UHFFFAOYSA-N
XLogP1.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-triazol-4-yl)piperidine;dihydrochloride?
The IUPAC name of 4-(1,2,4-triazol-4-yl)piperidine;dihydrochloride (CID 75531027) is 4-(1,2,4-triazol-4-yl)piperidine;dihydrochloride.
What is the SMILES notation for 4-(1,2,4-triazol-4-yl)piperidine;dihydrochloride?
The canonical SMILES for 4-(1,2,4-triazol-4-yl)piperidine;dihydrochloride is Cl.Cl.c1nncn1C1CCNCC1.
What is the InChIKey of 4-(1,2,4-triazol-4-yl)piperidine;dihydrochloride?
The InChIKey is JBYQNIAHNRQKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4.2ClH/c1-3-8-4-2-7(1)11-5-9-10-6-11;;/h5-8H,1-4H2;2*1H.
What are the key properties of 4-(1,2,4-triazol-4-yl)piperidine;dihydrochloride?
4-(1,2,4-triazol-4-yl)piperidine;dihydrochloride has a molecular weight of 225.12 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-triazol-4-yl)piperidine;dihydrochloride is sourced from PubChem (CID 75531027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).