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

C8H16Cl2N4 — CID 46737139

IUPAC4-(4-methyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
SMILESCl.Cl.Cn1cnnc1C1CCNCC1
InChIInChI=1S/C8H14N4.2ClH/c1-12-6-10-11-8(12)7-2-4-9-5-3-7;;/h6-7,9H,2-5H2,1H3;2*1H
InChIKeyDDFCYFYIBQRJOC-UHFFFAOYSA-N
MW239.15 g/mol
LogP1.13
Rot. Bonds1

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

4-(4-methyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride (PubChem CID 46737139) has the molecular formula C8H16Cl2N4 and a molecular weight of 239.15 g/mol. Its IUPAC name is 4-(4-methyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride.

Molecular Properties

Compound Name4-(4-methyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
PubChem CID46737139
Molecular FormulaC8H16Cl2N4
Molecular Weight239.15 g/mol
Exact Mass238.08
IUPAC Name4-(4-methyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
SMILESCl.Cl.Cn1cnnc1C1CCNCC1
InChIInChI=1S/C8H14N4.2ClH/c1-12-6-10-11-8(12)7-2-4-9-5-3-7;;/h6-7,9H,2-5H2,1H3;2*1H
InChIKeyDDFCYFYIBQRJOC-UHFFFAOYSA-N
XLogP1.13
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride?
The IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride (CID 46737139) is 4-(4-methyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride.
What is the SMILES notation for 4-(4-methyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride?
The canonical SMILES for 4-(4-methyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride is Cl.Cl.Cn1cnnc1C1CCNCC1.
What is the InChIKey of 4-(4-methyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride?
The InChIKey is DDFCYFYIBQRJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4.2ClH/c1-12-6-10-11-8(12)7-2-4-9-5-3-7;;/h6-7,9H,2-5H2,1H3;2*1H.
What are the key properties of 4-(4-methyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride?
4-(4-methyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride has a molecular weight of 239.15 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride is sourced from PubChem (CID 46737139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).