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

C7H15Cl2N5 — CID 122163709

IUPAC1-(4-methyl-1,2,4-triazol-3-yl)piperazine;dihydrochloride
SMILESCl.Cl.Cn1cnnc1N1CCNCC1
InChIInChI=1S/C7H13N5.2ClH/c1-11-6-9-10-7(11)12-4-2-8-3-5-12;;/h6,8H,2-5H2,1H3;2*1H
InChIKeyNJVHLQZXKOXDNX-UHFFFAOYSA-N
MW240.14 g/mol
LogP0.07
Rot. Bonds1

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

1-(4-methyl-1,2,4-triazol-3-yl)piperazine;dihydrochloride (PubChem CID 122163709) has the molecular formula C7H15Cl2N5 and a molecular weight of 240.14 g/mol. Its IUPAC name is 1-(4-methyl-1,2,4-triazol-3-yl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(4-methyl-1,2,4-triazol-3-yl)piperazine;dihydrochloride
PubChem CID122163709
Molecular FormulaC7H15Cl2N5
Molecular Weight240.14 g/mol
Exact Mass239.07
IUPAC Name1-(4-methyl-1,2,4-triazol-3-yl)piperazine;dihydrochloride
SMILESCl.Cl.Cn1cnnc1N1CCNCC1
InChIInChI=1S/C7H13N5.2ClH/c1-11-6-9-10-7(11)12-4-2-8-3-5-12;;/h6,8H,2-5H2,1H3;2*1H
InChIKeyNJVHLQZXKOXDNX-UHFFFAOYSA-N
XLogP0.07
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)piperazine;dihydrochloride?
The IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)piperazine;dihydrochloride (CID 122163709) is 1-(4-methyl-1,2,4-triazol-3-yl)piperazine;dihydrochloride.
What is the SMILES notation for 1-(4-methyl-1,2,4-triazol-3-yl)piperazine;dihydrochloride?
The canonical SMILES for 1-(4-methyl-1,2,4-triazol-3-yl)piperazine;dihydrochloride is Cl.Cl.Cn1cnnc1N1CCNCC1.
What is the InChIKey of 1-(4-methyl-1,2,4-triazol-3-yl)piperazine;dihydrochloride?
The InChIKey is NJVHLQZXKOXDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5.2ClH/c1-11-6-9-10-7(11)12-4-2-8-3-5-12;;/h6,8H,2-5H2,1H3;2*1H.
What are the key properties of 1-(4-methyl-1,2,4-triazol-3-yl)piperazine;dihydrochloride?
1-(4-methyl-1,2,4-triazol-3-yl)piperazine;dihydrochloride has a molecular weight of 240.14 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,2,4-triazol-3-yl)piperazine;dihydrochloride is sourced from PubChem (CID 122163709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).