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

C8H14N6O — CID 18873861

IUPAC2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(CN1CCNCC1)Nc1ncn[nH]1
InChIInChI=1S/C8H14N6O/c15-7(12-8-10-6-11-13-8)5-14-3-1-9-2-4-14/h6,9H,1-5H2,(H2,10,11,12,13,15)
InChIKeyOIINHUZHBPABHQ-UHFFFAOYSA-N
MW210.24 g/mol
LogP-1.35
Rot. Bonds3

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

2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 18873861) has the molecular formula C8H14N6O and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID18873861
Molecular FormulaC8H14N6O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(CN1CCNCC1)Nc1ncn[nH]1
InChIInChI=1S/C8H14N6O/c15-7(12-8-10-6-11-13-8)5-14-3-1-9-2-4-14/h6,9H,1-5H2,(H2,10,11,12,13,15)
InChIKeyOIINHUZHBPABHQ-UHFFFAOYSA-N
XLogP-1.35
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-1.35
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-yl)acetamide?
The IUPAC name of 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 18873861) is 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(CN1CCNCC1)Nc1ncn[nH]1.
What is the InChIKey of 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is OIINHUZHBPABHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O/c15-7(12-8-10-6-11-13-8)5-14-3-1-9-2-4-14/h6,9H,1-5H2,(H2,10,11,12,13,15).
What are the key properties of 2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 210.24 g/mol, XLogP of -1.35, 3 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-yl)acetamide is sourced from PubChem (CID 18873861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).