1-(1H-1,2,4-triazol-5-ylmethyl)piperazine

C7H13N5 — CID 56763776

IUPAC1-(1H-1,2,4-triazol-5-ylmethyl)piperazine
SMILESc1n[nH]c(CN2CCNCC2)n1
InChIInChI=1S/C7H13N5/c1-3-12(4-2-8-1)5-7-9-6-10-11-7/h6,8H,1-5H2,(H,9,10,11)
InChIKeySZIIDHOJJHWLHH-UHFFFAOYSA-N
MW167.22 g/mol
LogP-0.79
Rot. Bonds2

About 1-(1H-1,2,4-triazol-5-ylmethyl)piperazine

1-(1H-1,2,4-triazol-5-ylmethyl)piperazine (PubChem CID 56763776) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-ylmethyl)piperazine
PubChem CID56763776
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name1-(1H-1,2,4-triazol-5-ylmethyl)piperazine
SMILESc1n[nH]c(CN2CCNCC2)n1
InChIInChI=1S/C7H13N5/c1-3-12(4-2-8-1)5-7-9-6-10-11-7/h6,8H,1-5H2,(H,9,10,11)
InChIKeySZIIDHOJJHWLHH-UHFFFAOYSA-N
XLogP-0.79
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-1,2,4-triazol-5-ylmethyl)piperazine?
The IUPAC name of 1-(1H-1,2,4-triazol-5-ylmethyl)piperazine (CID 56763776) is 1-(1H-1,2,4-triazol-5-ylmethyl)piperazine.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-ylmethyl)piperazine?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-ylmethyl)piperazine is c1n[nH]c(CN2CCNCC2)n1.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-ylmethyl)piperazine?
The InChIKey is SZIIDHOJJHWLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-3-12(4-2-8-1)5-7-9-6-10-11-7/h6,8H,1-5H2,(H,9,10,11).
What are the key properties of 1-(1H-1,2,4-triazol-5-ylmethyl)piperazine?
1-(1H-1,2,4-triazol-5-ylmethyl)piperazine has a molecular weight of 167.22 g/mol, XLogP of -0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,2,4-triazol-5-ylmethyl)piperazine is sourced from PubChem (CID 56763776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).