5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;hydrochloride

C6H9ClN4O2 — CID 142658527

IUPAC5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1NCC(Cn2ccnn2)O1
InChIInChI=1S/C6H8N4O2.ClH/c11-6-7-3-5(12-6)4-10-2-1-8-9-10;/h1-2,5H,3-4H2,(H,7,11);1H
InChIKeyGWYBFTCKSMOHQM-UHFFFAOYSA-N
MW204.62 g/mol
LogP-0.19
Rot. Bonds2

About 5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;hydrochloride

5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 142658527) has the molecular formula C6H9ClN4O2 and a molecular weight of 204.62 g/mol. Its IUPAC name is 5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;hydrochloride
PubChem CID142658527
Molecular FormulaC6H9ClN4O2
Molecular Weight204.62 g/mol
Exact Mass204.04
IUPAC Name5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1NCC(Cn2ccnn2)O1
InChIInChI=1S/C6H8N4O2.ClH/c11-6-7-3-5(12-6)4-10-2-1-8-9-10;/h1-2,5H,3-4H2,(H,7,11);1H
InChIKeyGWYBFTCKSMOHQM-UHFFFAOYSA-N
XLogP-0.19
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.62
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-Fluorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 141078029
5-[1,2,3]Triazol-1-ylmethyl-oxazolidin-2-one
CID 58778320
3-Methyl-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 58836482
(5R)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 59994668
(5R)-3-methyl-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 90455204
(5R)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 141075048
5-[(4-Methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 141077356
5-[(4-Ethoxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 141077994
5-[(4-Chlorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 141078016
5-[(4-Hydroxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 141078030
5-(Triazol-1-yl)-1,3-oxazolidin-2-one
CID 142674296
[(2S)-1-(triazol-1-yl)propan-2-yl] carbamate
CID 146380271

Frequently Asked Questions

What is the IUPAC name of 5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of 5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;hydrochloride (CID 142658527) is 5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for 5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for 5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;hydrochloride is Cl.O=C1NCC(Cn2ccnn2)O1.
What is the InChIKey of 5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is GWYBFTCKSMOHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2.ClH/c11-6-7-3-5(12-6)4-10-2-1-8-9-10;/h1-2,5H,3-4H2,(H,7,11);1H.
What are the key properties of 5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;hydrochloride?
5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 204.62 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 142658527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).