2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C9H16N6O — CID 60982398

IUPAC2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(CN1CCNCC1)NCc1ncn[nH]1
InChIInChI=1S/C9H16N6O/c16-9(6-15-3-1-10-2-4-15)11-5-8-12-7-13-14-8/h7,10H,1-6H2,(H,11,16)(H,12,13,14)
InChIKeyGWZSAGYLVFFQPM-UHFFFAOYSA-N
MW224.27 g/mol
LogP-1.67
Rot. Bonds4

About 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 60982398) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID60982398
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(CN1CCNCC1)NCc1ncn[nH]1
InChIInChI=1S/C9H16N6O/c16-9(6-15-3-1-10-2-4-15)11-5-8-12-7-13-14-8/h7,10H,1-6H2,(H,11,16)(H,12,13,14)
InChIKeyGWZSAGYLVFFQPM-UHFFFAOYSA-N
XLogP-1.67
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 60982398) is 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is O=C(CN1CCNCC1)NCc1ncn[nH]1.
What is the InChIKey of 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is GWZSAGYLVFFQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O/c16-9(6-15-3-1-10-2-4-15)11-5-8-12-7-13-14-8/h7,10H,1-6H2,(H,11,16)(H,12,13,14).
What are the key properties of 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 224.27 g/mol, XLogP of -1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 60982398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).