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

C7H14Cl2N4 — CID 71299989

IUPAC4-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride
SMILESCl.Cl.c1n[nH]c(C2CCNCC2)n1
InChIInChI=1S/C7H12N4.2ClH/c1-3-8-4-2-6(1)7-9-5-10-11-7;;/h5-6,8H,1-4H2,(H,9,10,11);2*1H
InChIKeyAFHJFIXCEFHUHT-UHFFFAOYSA-N
MW225.12 g/mol
LogP1.12
Rot. Bonds1

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

4-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride (PubChem CID 71299989) has the molecular formula C7H14Cl2N4 and a molecular weight of 225.12 g/mol. Its IUPAC name is 4-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride.

Molecular Properties

Compound Name4-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride
PubChem CID71299989
Molecular FormulaC7H14Cl2N4
Molecular Weight225.12 g/mol
Exact Mass224.06
IUPAC Name4-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride
SMILESCl.Cl.c1n[nH]c(C2CCNCC2)n1
InChIInChI=1S/C7H12N4.2ClH/c1-3-8-4-2-6(1)7-9-5-10-11-7;;/h5-6,8H,1-4H2,(H,9,10,11);2*1H
InChIKeyAFHJFIXCEFHUHT-UHFFFAOYSA-N
XLogP1.12
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride?
The IUPAC name of 4-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride (CID 71299989) is 4-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride.
What is the SMILES notation for 4-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride?
The canonical SMILES for 4-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride is Cl.Cl.c1n[nH]c(C2CCNCC2)n1.
What is the InChIKey of 4-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride?
The InChIKey is AFHJFIXCEFHUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4.2ClH/c1-3-8-4-2-6(1)7-9-5-10-11-7;;/h5-6,8H,1-4H2,(H,9,10,11);2*1H.
What are the key properties of 4-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride?
4-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride has a molecular weight of 225.12 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride is sourced from PubChem (CID 71299989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).