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

C7H14Cl2N4 — CID 75531131

IUPAC3-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride
SMILESCl.Cl.c1n[nH]c(C2CCCNC2)n1
InChIInChI=1S/C7H12N4.2ClH/c1-2-6(4-8-3-1)7-9-5-10-11-7;;/h5-6,8H,1-4H2,(H,9,10,11);2*1H
InChIKeyZTLPZOURBMRYNB-UHFFFAOYSA-N
MW225.12 g/mol
LogP1.12
Rot. Bonds1

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

3-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride (PubChem CID 75531131) has the molecular formula C7H14Cl2N4 and a molecular weight of 225.12 g/mol. Its IUPAC name is 3-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride.

Molecular Properties

Compound Name3-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride
PubChem CID75531131
Molecular FormulaC7H14Cl2N4
Molecular Weight225.12 g/mol
Exact Mass224.06
IUPAC Name3-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride
SMILESCl.Cl.c1n[nH]c(C2CCCNC2)n1
InChIInChI=1S/C7H12N4.2ClH/c1-2-6(4-8-3-1)7-9-5-10-11-7;;/h5-6,8H,1-4H2,(H,9,10,11);2*1H
InChIKeyZTLPZOURBMRYNB-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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Related Compounds

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CID 19047800
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CID 53192491
3-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
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4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 47002730
4-(4H-1,2,4-triazol-3-yl)piperidine
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3-(4H-1,2,4-triazol-3-yl)piperidine
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3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 61279544
4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine hydrochloride
CID 71758195
3-(pyrrolidin-3-yl)-4H-1,2,4-triazole dihydrochloride
CID 121553640
4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
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4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine hydrochloride
CID 47003210
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CID 50988337

Frequently Asked Questions

What is the IUPAC name of 3-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride?
The IUPAC name of 3-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride (CID 75531131) is 3-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride.
What is the SMILES notation for 3-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride?
The canonical SMILES for 3-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride is Cl.Cl.c1n[nH]c(C2CCCNC2)n1.
What is the InChIKey of 3-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride?
The InChIKey is ZTLPZOURBMRYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4.2ClH/c1-2-6(4-8-3-1)7-9-5-10-11-7;;/h5-6,8H,1-4H2,(H,9,10,11);2*1H.
What are the key properties of 3-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride?
3-(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 3-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride is sourced from PubChem (CID 75531131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).