4-hydroxy-1-[(2-methyltriazol-4-yl)methyl]pyrrolidin-2-one

C8H12N4O2 — CID 130948204

IUPAC4-hydroxy-1-[(2-methyltriazol-4-yl)methyl]pyrrolidin-2-one
SMILESCn1ncc(CN2CC(O)CC2=O)n1
InChIInChI=1S/C8H12N4O2/c1-11-9-3-6(10-11)4-12-5-7(13)2-8(12)14/h3,7,13H,2,4-5H2,1H3
InChIKeyDZZKFMFHZJPEHH-UHFFFAOYSA-N
MW196.21 g/mol
LogP-1.09
Rot. Bonds2

About 4-hydroxy-1-[(2-methyltriazol-4-yl)methyl]pyrrolidin-2-one

4-hydroxy-1-[(2-methyltriazol-4-yl)methyl]pyrrolidin-2-one (PubChem CID 130948204) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-hydroxy-1-[(2-methyltriazol-4-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[(2-methyltriazol-4-yl)methyl]pyrrolidin-2-one
PubChem CID130948204
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name4-hydroxy-1-[(2-methyltriazol-4-yl)methyl]pyrrolidin-2-one
SMILESCn1ncc(CN2CC(O)CC2=O)n1
InChIInChI=1S/C8H12N4O2/c1-11-9-3-6(10-11)4-12-5-7(13)2-8(12)14/h3,7,13H,2,4-5H2,1H3
InChIKeyDZZKFMFHZJPEHH-UHFFFAOYSA-N
XLogP-1.09
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 79237900
3-bromo-1-[(2-methyltriazol-4-yl)methyl]pyrrolidin-2-one
CID 130908934
1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidin-2-one
CID 168701837
4-hydroxy-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one
CID 168703040
4-hydroxy-1-[(2,4,6-trifluorophenyl)methyl]pyrrolidin-2-one
CID 168703000
4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-2-one
CID 168703096
1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 106033262
1-[(2,5-dimethylphenyl)methyl]-4-hydroxypyrrolidin-2-one
CID 168702646
4-hydroxy-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168702894
4-hydroxy-1-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidin-2-one
CID 168702984
2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole
CID 126900246
3-(4-hydroxy-2-oxopyrrolidin-1-yl)propanamide
CID 3052160

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(2-methyltriazol-4-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-[(2-methyltriazol-4-yl)methyl]pyrrolidin-2-one (CID 130948204) is 4-hydroxy-1-[(2-methyltriazol-4-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-[(2-methyltriazol-4-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-[(2-methyltriazol-4-yl)methyl]pyrrolidin-2-one is Cn1ncc(CN2CC(O)CC2=O)n1.
What is the InChIKey of 4-hydroxy-1-[(2-methyltriazol-4-yl)methyl]pyrrolidin-2-one?
The InChIKey is DZZKFMFHZJPEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-11-9-3-6(10-11)4-12-5-7(13)2-8(12)14/h3,7,13H,2,4-5H2,1H3.
What are the key properties of 4-hydroxy-1-[(2-methyltriazol-4-yl)methyl]pyrrolidin-2-one?
4-hydroxy-1-[(2-methyltriazol-4-yl)methyl]pyrrolidin-2-one has a molecular weight of 196.21 g/mol, XLogP of -1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(2-methyltriazol-4-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 130948204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).