piperazin-1-yl(2H-triazol-4-yl)methanone

C7H11N5O — CID 62047765

IUPACpiperazin-1-yl(2H-triazol-4-yl)methanone
SMILESO=C(c1cn[nH]n1)N1CCNCC1
InChIInChI=1S/C7H11N5O/c13-7(6-5-9-11-10-6)12-3-1-8-2-4-12/h5,8H,1-4H2,(H,9,10,11)
InChIKeyUYAAXLMCFAJKCX-UHFFFAOYSA-N
MW181.20 g/mol
LogP-1.15
Rot. Bonds1

About piperazin-1-yl(2H-triazol-4-yl)methanone

piperazin-1-yl(2H-triazol-4-yl)methanone (PubChem CID 62047765) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is piperazin-1-yl(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Namepiperazin-1-yl(2H-triazol-4-yl)methanone
PubChem CID62047765
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Namepiperazin-1-yl(2H-triazol-4-yl)methanone
SMILESO=C(c1cn[nH]n1)N1CCNCC1
InChIInChI=1S/C7H11N5O/c13-7(6-5-9-11-10-6)12-3-1-8-2-4-12/h5,8H,1-4H2,(H,9,10,11)
InChIKeyUYAAXLMCFAJKCX-UHFFFAOYSA-N
XLogP-1.15
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl(2H-triazol-4-yl)methanone?
The IUPAC name of piperazin-1-yl(2H-triazol-4-yl)methanone (CID 62047765) is piperazin-1-yl(2H-triazol-4-yl)methanone.
What is the SMILES notation for piperazin-1-yl(2H-triazol-4-yl)methanone?
The canonical SMILES for piperazin-1-yl(2H-triazol-4-yl)methanone is O=C(c1cn[nH]n1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl(2H-triazol-4-yl)methanone?
The InChIKey is UYAAXLMCFAJKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c13-7(6-5-9-11-10-6)12-3-1-8-2-4-12/h5,8H,1-4H2,(H,9,10,11).
What are the key properties of piperazin-1-yl(2H-triazol-4-yl)methanone?
piperazin-1-yl(2H-triazol-4-yl)methanone has a molecular weight of 181.20 g/mol, XLogP of -1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl(2H-triazol-4-yl)methanone is sourced from PubChem (CID 62047765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).