2-[4-(2-hydroxyethyl)triazol-1-yl]-1-piperazin-1-ylethanone chloride

C10H17ClN5O2- — CID 53312901

IUPAC2-[4-(2-hydroxyethyl)triazol-1-yl]-1-piperazin-1-ylethanone chloride
SMILESO=C(Cn1cc(CCO)nn1)N1CCNCC1.[Cl-]
InChIInChI=1S/C10H17N5O2.ClH/c16-6-1-9-7-15(13-12-9)8-10(17)14-4-2-11-3-5-14;/h7,11,16H,1-6,8H2;1H/p-1
InChIKeyGMYVOKWZWMEDPW-UHFFFAOYSA-M
MW274.73 g/mol
LogP-4.75
Rot. Bonds4

About 2-[4-(2-hydroxyethyl)triazol-1-yl]-1-piperazin-1-ylethanone chloride

2-[4-(2-hydroxyethyl)triazol-1-yl]-1-piperazin-1-ylethanone chloride (PubChem CID 53312901) has the molecular formula C10H17ClN5O2- and a molecular weight of 274.73 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)triazol-1-yl]-1-piperazin-1-ylethanone chloride.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)triazol-1-yl]-1-piperazin-1-ylethanone chloride
PubChem CID53312901
Molecular FormulaC10H17ClN5O2-
Molecular Weight274.73 g/mol
Exact Mass274.11
IUPAC Name2-[4-(2-hydroxyethyl)triazol-1-yl]-1-piperazin-1-ylethanone chloride
SMILESO=C(Cn1cc(CCO)nn1)N1CCNCC1.[Cl-]
InChIInChI=1S/C10H17N5O2.ClH/c16-6-1-9-7-15(13-12-9)8-10(17)14-4-2-11-3-5-14;/h7,11,16H,1-6,8H2;1H/p-1
InChIKeyGMYVOKWZWMEDPW-UHFFFAOYSA-M
XLogP-4.75
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 5-4.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-hydroxyethyl)triazol-1-yl]-1-morpholin-4-ylethanone
CID 62399432
1-(4-acetylpiperazin-1-yl)-2-[4-(3-aminopropyl)triazol-1-yl]ethanone
CID 106221205
2-[4-(3-aminopropyl)triazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 106221300
1-piperazin-1-yl-2-pyrazol-1-ylethanone
CID 23070038
1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]triazole-4-carboxylic acid
CID 66288894
2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62399989
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-4-carboxamide
CID 115458891
2-[4-(3-aminopropyl)triazol-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 106220969
2-(4-bromopyrazol-1-yl)-1-piperazin-1-ylethanone;dihydrochloride
CID 121226431
1-(azocan-1-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethanone
CID 66192997
2-[4-(methylaminomethyl)triazol-1-yl]-1-morpholin-4-ylethanone
CID 66215849
2-[4-(aminomethyl)triazol-1-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 115459483

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)triazol-1-yl]-1-piperazin-1-ylethanone chloride?
The IUPAC name of 2-[4-(2-hydroxyethyl)triazol-1-yl]-1-piperazin-1-ylethanone chloride (CID 53312901) is 2-[4-(2-hydroxyethyl)triazol-1-yl]-1-piperazin-1-ylethanone chloride.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)triazol-1-yl]-1-piperazin-1-ylethanone chloride?
The canonical SMILES for 2-[4-(2-hydroxyethyl)triazol-1-yl]-1-piperazin-1-ylethanone chloride is O=C(Cn1cc(CCO)nn1)N1CCNCC1.[Cl-].
What is the InChIKey of 2-[4-(2-hydroxyethyl)triazol-1-yl]-1-piperazin-1-ylethanone chloride?
The InChIKey is GMYVOKWZWMEDPW-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H17N5O2.ClH/c16-6-1-9-7-15(13-12-9)8-10(17)14-4-2-11-3-5-14;/h7,11,16H,1-6,8H2;1H/p-1.
What are the key properties of 2-[4-(2-hydroxyethyl)triazol-1-yl]-1-piperazin-1-ylethanone chloride?
2-[4-(2-hydroxyethyl)triazol-1-yl]-1-piperazin-1-ylethanone chloride has a molecular weight of 274.73 g/mol, XLogP of -4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)triazol-1-yl]-1-piperazin-1-ylethanone chloride is sourced from PubChem (CID 53312901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).