2-(4-ethylpiperazin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide

C13H24N6O — CID 91788532

IUPAC2-(4-ethylpiperazin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
SMILESCCN1CCN(CC(=O)NC(C)Cn2cncn2)CC1
InChIInChI=1S/C13H24N6O/c1-3-17-4-6-18(7-5-17)9-13(20)16-12(2)8-19-11-14-10-15-19/h10-12H,3-9H2,1-2H3,(H,16,20)
InChIKeyORXOYXDKWMPWNP-UHFFFAOYSA-N
MW280.38 g/mol
LogP-0.58
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide

2-(4-ethylpiperazin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide (PubChem CID 91788532) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
PubChem CID91788532
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
SMILESCCN1CCN(CC(=O)NC(C)Cn2cncn2)CC1
InChIInChI=1S/C13H24N6O/c1-3-17-4-6-18(7-5-17)9-13(20)16-12(2)8-19-11-14-10-15-19/h10-12H,3-9H2,1-2H3,(H,16,20)
InChIKeyORXOYXDKWMPWNP-UHFFFAOYSA-N
XLogP-0.58
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide (CID 91788532) is 2-(4-ethylpiperazin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide is CCN1CCN(CC(=O)NC(C)Cn2cncn2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
The InChIKey is ORXOYXDKWMPWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-3-17-4-6-18(7-5-17)9-13(20)16-12(2)8-19-11-14-10-15-19/h10-12H,3-9H2,1-2H3,(H,16,20).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
2-(4-ethylpiperazin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide has a molecular weight of 280.38 g/mol, XLogP of -0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide is sourced from PubChem (CID 91788532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).