1-(4-acetylpiperazin-1-yl)-2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)propan-1-one

C17H25N5O2 — CID 126773598

IUPAC1-(4-acetylpiperazin-1-yl)-2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)propan-1-one
SMILESCC(=O)N1CCN(C(=O)C(C)n2nc(C3CC3)nc2C2CC2)CC1
InChIInChI=1S/C17H25N5O2/c1-11(17(24)21-9-7-20(8-10-21)12(2)23)22-16(14-5-6-14)18-15(19-22)13-3-4-13/h11,13-14H,3-10H2,1-2H3
InChIKeyORJHHRMVQZDVBR-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.28
Rot. Bonds4

About 1-(4-acetylpiperazin-1-yl)-2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)propan-1-one

1-(4-acetylpiperazin-1-yl)-2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)propan-1-one (PubChem CID 126773598) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)propan-1-one
PubChem CID126773598
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)propan-1-one
SMILESCC(=O)N1CCN(C(=O)C(C)n2nc(C3CC3)nc2C2CC2)CC1
InChIInChI=1S/C17H25N5O2/c1-11(17(24)21-9-7-20(8-10-21)12(2)23)22-16(14-5-6-14)18-15(19-22)13-3-4-13/h11,13-14H,3-10H2,1-2H3
InChIKeyORJHHRMVQZDVBR-UHFFFAOYSA-N
XLogP1.28
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)propan-1-one (CID 126773598) is 1-(4-acetylpiperazin-1-yl)-2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)propan-1-one is CC(=O)N1CCN(C(=O)C(C)n2nc(C3CC3)nc2C2CC2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is ORJHHRMVQZDVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-11(17(24)21-9-7-20(8-10-21)12(2)23)22-16(14-5-6-14)18-15(19-22)13-3-4-13/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)propan-1-one?
1-(4-acetylpiperazin-1-yl)-2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 331.42 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 126773598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).