1-(4-acetylpiperazin-1-yl)-2-[4-(3-aminopropyl)triazol-1-yl]ethanone

C13H22N6O2 — CID 106221205

IUPAC1-(4-acetylpiperazin-1-yl)-2-[4-(3-aminopropyl)triazol-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)Cn2cc(CCCN)nn2)CC1
InChIInChI=1S/C13H22N6O2/c1-11(20)17-5-7-18(8-6-17)13(21)10-19-9-12(15-16-19)3-2-4-14/h9H,2-8,10,14H2,1H3
InChIKeyRUBXKNBWUKVPLE-UHFFFAOYSA-N
MW294.36 g/mol
LogP-1.14
Rot. Bonds5

About 1-(4-acetylpiperazin-1-yl)-2-[4-(3-aminopropyl)triazol-1-yl]ethanone

1-(4-acetylpiperazin-1-yl)-2-[4-(3-aminopropyl)triazol-1-yl]ethanone (PubChem CID 106221205) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[4-(3-aminopropyl)triazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[4-(3-aminopropyl)triazol-1-yl]ethanone
PubChem CID106221205
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[4-(3-aminopropyl)triazol-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)Cn2cc(CCCN)nn2)CC1
InChIInChI=1S/C13H22N6O2/c1-11(20)17-5-7-18(8-6-17)13(21)10-19-9-12(15-16-19)3-2-4-14/h9H,2-8,10,14H2,1H3
InChIKeyRUBXKNBWUKVPLE-UHFFFAOYSA-N
XLogP-1.14
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[4-(3-aminopropyl)triazol-1-yl]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[4-(3-aminopropyl)triazol-1-yl]ethanone (CID 106221205) is 1-(4-acetylpiperazin-1-yl)-2-[4-(3-aminopropyl)triazol-1-yl]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[4-(3-aminopropyl)triazol-1-yl]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[4-(3-aminopropyl)triazol-1-yl]ethanone is CC(=O)N1CCN(C(=O)Cn2cc(CCCN)nn2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[4-(3-aminopropyl)triazol-1-yl]ethanone?
The InChIKey is RUBXKNBWUKVPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-11(20)17-5-7-18(8-6-17)13(21)10-19-9-12(15-16-19)3-2-4-14/h9H,2-8,10,14H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[4-(3-aminopropyl)triazol-1-yl]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[4-(3-aminopropyl)triazol-1-yl]ethanone has a molecular weight of 294.36 g/mol, XLogP of -1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[4-(3-aminopropyl)triazol-1-yl]ethanone is sourced from PubChem (CID 106221205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).