N-(2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide

C11H20N6O — CID 43600286

IUPACN-(2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NCCN1CCNCC1)n1cncn1
InChIInChI=1S/C11H20N6O/c1-10(17-9-13-8-15-17)11(18)14-4-7-16-5-2-12-3-6-16/h8-10,12H,2-7H2,1H3,(H,14,18)
InChIKeyKJTJGFGDUYDVHV-UHFFFAOYSA-N
MW252.32 g/mol
LogP-1.14
Rot. Bonds5

About N-(2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide

N-(2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 43600286) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID43600286
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC NameN-(2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NCCN1CCNCC1)n1cncn1
InChIInChI=1S/C11H20N6O/c1-10(17-9-13-8-15-17)11(18)14-4-7-16-5-2-12-3-6-16/h8-10,12H,2-7H2,1H3,(H,14,18)
InChIKeyKJTJGFGDUYDVHV-UHFFFAOYSA-N
XLogP-1.14
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 43600286) is N-(2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)NCCN1CCNCC1)n1cncn1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is KJTJGFGDUYDVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-10(17-9-13-8-15-17)11(18)14-4-7-16-5-2-12-3-6-16/h8-10,12H,2-7H2,1H3,(H,14,18).
What are the key properties of N-(2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 252.32 g/mol, XLogP of -1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 43600286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).