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

C7H13N5 — CID 22219003

IUPAC1-(1,2,4-triazol-1-ylmethyl)piperazine
SMILESc1ncn(CN2CCNCC2)n1
InChIInChI=1S/C7H13N5/c1-3-11(4-2-8-1)7-12-6-9-5-10-12/h5-6,8H,1-4,7H2
InChIKeySQVIFYCTTFTUKU-UHFFFAOYSA-N
MW167.22 g/mol
LogP-0.86
Rot. Bonds2

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

1-(1,2,4-triazol-1-ylmethyl)piperazine (PubChem CID 22219003) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 1-(1,2,4-triazol-1-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(1,2,4-triazol-1-ylmethyl)piperazine
PubChem CID22219003
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name1-(1,2,4-triazol-1-ylmethyl)piperazine
SMILESc1ncn(CN2CCNCC2)n1
InChIInChI=1S/C7H13N5/c1-3-11(4-2-8-1)7-12-6-9-5-10-12/h5-6,8H,1-4,7H2
InChIKeySQVIFYCTTFTUKU-UHFFFAOYSA-N
XLogP-0.86
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-triazol-1-ylmethyl)piperazine?
The IUPAC name of 1-(1,2,4-triazol-1-ylmethyl)piperazine (CID 22219003) is 1-(1,2,4-triazol-1-ylmethyl)piperazine.
What is the SMILES notation for 1-(1,2,4-triazol-1-ylmethyl)piperazine?
The canonical SMILES for 1-(1,2,4-triazol-1-ylmethyl)piperazine is c1ncn(CN2CCNCC2)n1.
What is the InChIKey of 1-(1,2,4-triazol-1-ylmethyl)piperazine?
The InChIKey is SQVIFYCTTFTUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-3-11(4-2-8-1)7-12-6-9-5-10-12/h5-6,8H,1-4,7H2.
What are the key properties of 1-(1,2,4-triazol-1-ylmethyl)piperazine?
1-(1,2,4-triazol-1-ylmethyl)piperazine has a molecular weight of 167.22 g/mol, XLogP of -0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-triazol-1-ylmethyl)piperazine is sourced from PubChem (CID 22219003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).