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

C9H15N5O2 — CID 110475446

IUPAC[4-(2-hydroxyethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
SMILESO=C(c1cn[nH]n1)N1CCN(CCO)CC1
InChIInChI=1S/C9H15N5O2/c15-6-5-13-1-3-14(4-2-13)9(16)8-7-10-12-11-8/h7,15H,1-6H2,(H,10,11,12)
InChIKeyZFGZGPKPPDTSQZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.45
Rot. Bonds3

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

[4-(2-hydroxyethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone (PubChem CID 110475446) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
PubChem CID110475446
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name[4-(2-hydroxyethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
SMILESO=C(c1cn[nH]n1)N1CCN(CCO)CC1
InChIInChI=1S/C9H15N5O2/c15-6-5-13-1-3-14(4-2-13)9(16)8-7-10-12-11-8/h7,15H,1-6H2,(H,10,11,12)
InChIKeyZFGZGPKPPDTSQZ-UHFFFAOYSA-N
XLogP-1.45
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

azocan-1-yl(2H-triazol-4-yl)methanone
CID 47335062
(4-methyl-1,4-diazepan-1-yl)-(2H-triazol-4-yl)methanone
CID 112732680
N,N-dimethyl-2-[4-(2H-triazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 112733403
(4-bromopiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 80662677
(5-chloropyrazin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 103817134
1,4-thiazepan-4-yl(2H-triazol-4-yl)methanone
CID 78968241
[4-(oxolan-2-ylmethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 78968015
(5-amino-1H-pyrazol-4-yl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107224095
[4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone
CID 61067356
1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 110475443
(4,4-dimethylazepan-1-yl)-(2H-triazol-4-yl)methanone
CID 79005614
[4-(2-chlorophenyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 112729784

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone?
The IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone (CID 110475446) is [4-(2-hydroxyethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone.
What is the SMILES notation for [4-(2-hydroxyethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone?
The canonical SMILES for [4-(2-hydroxyethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone is O=C(c1cn[nH]n1)N1CCN(CCO)CC1.
What is the InChIKey of [4-(2-hydroxyethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone?
The InChIKey is ZFGZGPKPPDTSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c15-6-5-13-1-3-14(4-2-13)9(16)8-7-10-12-11-8/h7,15H,1-6H2,(H,10,11,12).
What are the key properties of [4-(2-hydroxyethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone?
[4-(2-hydroxyethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone has a molecular weight of 225.25 g/mol, XLogP of -1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 110475446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).