[4-(oxolan-2-ylmethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone

C12H19N5O2 — CID 78968015

IUPAC[4-(oxolan-2-ylmethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
SMILESO=C(c1cn[nH]n1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C12H19N5O2/c18-12(11-8-13-15-14-11)17-5-3-16(4-6-17)9-10-2-1-7-19-10/h8,10H,1-7,9H2,(H,13,14,15)
InChIKeyGEAATJUXYBHGLI-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.26
Rot. Bonds3

About [4-(oxolan-2-ylmethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone

[4-(oxolan-2-ylmethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone (PubChem CID 78968015) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is [4-(oxolan-2-ylmethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(oxolan-2-ylmethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
PubChem CID78968015
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name[4-(oxolan-2-ylmethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
SMILESO=C(c1cn[nH]n1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C12H19N5O2/c18-12(11-8-13-15-14-11)17-5-3-16(4-6-17)9-10-2-1-7-19-10/h8,10H,1-7,9H2,(H,13,14,15)
InChIKeyGEAATJUXYBHGLI-UHFFFAOYSA-N
XLogP-0.26
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 97124144
[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 9209032
(6-chloro-2-pyridinyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 62232904
(5-hydroxy-3-pyridinyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 63858865
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
(3-methyl-1,2-oxazol-5-yl)-[4-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 94021683
[4-(2-hydroxyethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 110475446
cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 94794131
(5-bromothiophen-3-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 60739680
(5-chlorofuran-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 103601974
(4-amino-1,2,5-oxadiazol-3-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 62686709
(5-chlorofuran-2-yl)-[4-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 95130228

Frequently Asked Questions

What is the IUPAC name of [4-(oxolan-2-ylmethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone?
The IUPAC name of [4-(oxolan-2-ylmethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone (CID 78968015) is [4-(oxolan-2-ylmethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone.
What is the SMILES notation for [4-(oxolan-2-ylmethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone?
The canonical SMILES for [4-(oxolan-2-ylmethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone is O=C(c1cn[nH]n1)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of [4-(oxolan-2-ylmethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone?
The InChIKey is GEAATJUXYBHGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c18-12(11-8-13-15-14-11)17-5-3-16(4-6-17)9-10-2-1-7-19-10/h8,10H,1-7,9H2,(H,13,14,15).
What are the key properties of [4-(oxolan-2-ylmethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone?
[4-(oxolan-2-ylmethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone has a molecular weight of 265.32 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxolan-2-ylmethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 78968015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).